Structure

(Tert.-Butyldimethylsilyloxy)Ethanol

CAS
102229-10-7
Catalog Number
ACM102229107
Category
Siloxanes
Molecular Weight
176.33
Molecular Formula
C8H20O2Si

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Specification

Synonyms
102229-10-7, 2-(tert-Butyldimethylsiloxy)ethanol, 2-(tert-butyldimethylsilyloxy)ethanol, 2-((tert-Butyldimethylsilyl)oxy)ethanol, 2-(tert-Butyldimethylsiloxy)ethyl alcohol, 2-[(tert-Butyldimethylsilyl)oxy]-1-ethanol, 2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethanol, 2-(tert-Butyldimethylsilanyloxy)ethanol, Ethanol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, iloxy)ethyl iodide, 2-(tert-Butyldimethyls, ANW-60311, AKOS006281226, RL00114, 2-(T-BUTYLDIMETHYLSILOXY)ETHANOL, AK101299, KB-15986, 2-(tert-Butyl-dimethyl-silanyloxy)-ethanol, FT-0664076
IUPAC Name
2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILES
CC(C)(C)[Si](C)(C)OCCO
InChI Key
YJYAGNPMQVHYAH-UHFFFAOYSA-N
Boiling Point
186.115ºC at 760 mmHg
Flash Point
66.36ºC
Density
0.881g/cm³
Appearance
Transparent liquid
Exact Mass
176.12300
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of (Tert.-butyldimethylsilyloxy)ethanol?

The molecular formula is C8H20O2Si.

What is the molecular weight of (Tert.-butyldimethylsilyloxy)ethanol?

The molecular weight is 176.33 g/mol.

What is the IUPAC name of (Tert.-butyldimethylsilyloxy)ethanol?

The IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyethanol.

What is the InChI of (Tert.-butyldimethylsilyloxy)ethanol?

The InChI is InChI=1S/C8H20O2Si/c1-8(2,3)11(4,5)10-7-6-9/h9H,6-7H2,1-5H3.

What is the InChIKey of (Tert.-butyldimethylsilyloxy)ethanol?

The InChIKey is YJYAGNPMQVHYAH-UHFFFAOYSA-N.

How many hydrogen bond donor count does (Tert.-butyldimethylsilyloxy)ethanol have?

It has 1 hydrogen bond donor count.

How many rotatable bond count does (Tert.-butyldimethylsilyloxy)ethanol have?

It has 4 rotatable bond count.

What is the topological polar surface area of (Tert.-butyldimethylsilyloxy)ethanol?

The topological polar surface area is 29.5Ų.

Does (Tert.-butyldimethylsilyloxy)ethanol have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter count.

Is the compound canonicalized for (Tert.-butyldimethylsilyloxy)ethanol?

Yes, the compound is canonicalized.

Upstream Synthesis Route 1

  • 107-21-1
  • 18162-48-6
  • 102229-10-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 7, p. 2375 - 2385

Upstream Synthesis Route 2

  • 18162-48-6
  • 102229-10-7

Reference: [1] Patent: WO2007/124898, 2007, A1, . Location in patent: Page/Page column 78-79

Upstream Synthesis Route 3

  • 104948-22-3
  • 102229-10-7

Reference: [1] Journal of Organic Chemistry, 1986, vol. 51, # 24, p. 4731 - 4733
[2] Tetrahedron Letters, 1998, vol. 39, # 51, p. 9461 - 9464

Upstream Synthesis Route 4

  • 107-21-1
  • 18162-48-6
  • 102229-10-7

Reference: [1]Patent: CN110156763,2019,A .Location in patent: Paragraph 0087; 0088-0091

Downstream Synthesis Route 1

  • 102229-10-7
  • 102191-92-4

Reference: [1]Organic Letters,2016,vol. 18,p. 4534 - 4537

Downstream Synthesis Route 2

  • 102229-10-7
  • 124-63-0
  • 233666-22-3

Reference: [1]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 2407 - 2417
[2]Organic Letters,2006,vol. 8,p. 5983 - 5986
[3]Journal of the American Chemical Society,2002,vol. 124,p. 5964 - 5973

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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