3-(t-Butyldimethylsiloxy)propanol

• CAS: 73842-99-6
• Catalog Number: ACM73842996
• Category: Siloxanes
• Molecular Weight: 190.36
• Molecular Formula: C9H22O2Si
• Synonyms: 3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
• IUPAC Name: 3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
• SMILES: CC(C)(C)[Si](C)(C)OCCCO
• InChI Key: NETUFVYVNJNFMU-UHFFFAOYSA-N
• Boiling Point: 110ºC6 mm Hg(lit.)
• Flash Point: 199 °F
• Density: 0.892 g/mL at 25ºC(lit.)
• Appearance: Transparent liquid
• Exact Mass: 190.13900
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-(t-Butyldimethylsiloxy)propanol?

The molecular formula is C9H22O2Si.

What is the molecular weight of 3-(t-Butyldimethylsiloxy)propanol?

The molecular weight is 190.35 g/mol.

What is the IUPAC name of 3-(t-Butyldimethylsiloxy)propanol?

The IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.

What is the InChI of 3-(t-Butyldimethylsiloxy)propanol?

The InChI is InChI=1S/C9H22O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h10H,6-8H2,1-5H3.

What is the InChIKey of 3-(t-Butyldimethylsiloxy)propanol?

The InChIKey is NETUFVYVNJNFMU-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(t-Butyldimethylsiloxy)propanol?

The canonical SMILES is CC(C)(C)[Si](C)(C)OCCCO.

What is the CAS number of 3-(t-Butyldimethylsiloxy)propanol?

The CAS number is 73842-99-6.

How many hydrogen bond donor counts does 3-(t-Butyldimethylsiloxy)propanol have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-(t-Butyldimethylsiloxy)propanol have?

It has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-(t-Butyldimethylsiloxy)propanol have?

It has 5 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 18162-48-6
• 504-63-2

• 73842-99-6

Reference: [1] Patent: WO2005/117588, 2005, A2, . Location in patent: Page/Page column 31

Upstream Synthesis Route 2

• 203738-77-6

• 73842-99-6

Reference: [1] Chemical Communications, 2003, # 5, p. 654 - 655
[2] Tetrahedron, 2004, vol. 60, # 32, p. 6901 - 6911

Upstream Synthesis Route 3

• 203738-77-6

• 73842-99-6
• 504-63-2

Reference: [1] Tetrahedron Letters, 1998, vol. 39, # 51, p. 9461 - 9464
[2] Chemical Communications, 2003, # 5, p. 654 - 655

Downstream Synthesis Route 1

• 73842-99-6

• 89922-82-7

Reference: [1]Li, Xiaojin; Lantrip, Douglas; Fuchs, Philip L.
[Journal of the American Chemical Society, 2003, vol. 125, # 47, p. 14262 - 14263]

Downstream Synthesis Route 2

• 73842-99-6

• 78878-05-4

Reference: [1]Shinohara, Riku; Morita, Masao; Ogawa, Narihito; Kobayashi, Yuichi
[Organic Letters, 2019, vol. 21, # 9, p. 3247 - 3251]

Downstream Synthesis Route 3

• 73842-99-6
• 305-53-3

• 864719-75-5

Reference: [1]Carrillo, Romen; Martín, Victor S.; López, Matías; Martín, Tomás
[Tetrahedron, 2005, vol. 61, # 34, p. 8177 - 8191]

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