2,6,10-Trimethylundeca-1,9-dien-4-yl acetate

CAS
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CAS
94201-71-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94201715

Product Name

2,6,10-Trimethylundeca-1,9-dien-4-yl acetate

Structure

Structure

CAS

94201-71-5

Category

Heterocyclic Organic Compound

Synonyms

EINECS 303-660-0, CID3024002, 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate, 94201-71-5

IUPAC Name

2,6,10-trimethylundeca-1,9-dien-4-yl acetate

Molecular Weight

252.392320 [g/mol]

Molecular Formula

C₁₆H₂₈O₂

Canonical SMILES

CC(CCC=C(C)C)CC(CC(=C)C)OC(=O)C

InChI Key

CORWEQVTDUHIDS-UHFFFAOYSA-N

Boiling Point

322.4ºC at 760mmHg

Flash Point

94.3ºC

Density

0.884g/cm³

EC Number

303-660-0

Exact Mass

252.20900

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate?

The molecular formula is C16H28O2.

When was 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate first created and modified in PubChem?

It was first created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC Name of 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate?

The IUPAC Name is 2,6,10-trimethylundeca-1,9-dien-4-yl acetate.

What is the InChI of 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate?

The InChI is InChI=1S/C16H28O2/c1-12(2)8-7-9-14(5)11-16(10-13(3)4)18-15(6)17/h8,14,16H,3,7,9-11H2,1-2,4-6H3.

What is the molecular weight of 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate?

The molecular weight is 252.39 g/mol.

How many hydrogen bond donor counts does 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate have?

It has 0 hydrogen bond donor counts.

What is the topological polar surface area of 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate?

The topological polar surface area is 26.3 Å².

Is 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate a canonicalized compound?

Yes, it is canonicalized.

How many rotatable bond counts does 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate have?

It has 9 rotatable bond counts.

What is the XLogP3-AA value of 2,6,10-Trimethylundeca-1,9-dien-4-yl acetate?

The XLogP3-AA value is 5.6.

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