1,1-Dimethyl-5-methyleneheptyl isovalerate

CAS

96846-76-3

Catalog Number

ACM96846763

Category

Other Products

Molecular Weight

240.381620 [g/mol]

Molecular Formula

C₁₅H₂₈O₂

MSDS COA Spec Sheet

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Specification

Synonyms

1,1-Dimethyl-5-methyleneheptyl isovalerate, 96846-76-3, CTK3I8823, EINECS 306-312-6, AG-H-96164

IUPAC Name

(2-methyl-6-methylideneoctan-2-yl) 3-methylbutanoate

Canonical SMILES

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

InChI Key

YOUZPPOBZXKXHX-UHFFFAOYSA-N

Boiling Point

300.8ºC at 760mmHg

Flash Point

87ºC

Density

0.874g/cm³

EC Number

306-312-6

Exact Mass

240.20900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

The molecular formula is C15H28O2.

What is the molecular weight of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

The molecular weight is 240.38 g/mol.

What is the IUPAC name of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

The IUPAC name is (2-methyl-6-methylideneoctan-2-yl) 3-methylbutanoate.

What is the InChI of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

The InChI is InChI=1S/C15H28O2/c1-7-13(4)9-8-10-15(5,6)17-14(16)11-12(2)3/h12H,4,7-11H2,1-3,5-6H3.

What is the InChIKey of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

The InChIKey is YOUZPPOBZXKXHX-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

The Canonical SMILES is CCC(=C)CCCC(C)(C)OC(=O)CC(C)C.

How many hydrogen bond donor counts does 1,1-Dimethyl-5-methyleneheptyl isovalerate have?

It has 0 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of 1,1-Dimethyl-5-methyleneheptyl isovalerate?

It has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does 1,1-Dimethyl-5-methyleneheptyl isovalerate have?

It has 9 rotatable bond counts.

Is 1,1-Dimethyl-5-methyleneheptyl isovalerate a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

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