[4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate

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CAS
94386-40-0
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Purity
96%
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Catalog Number

ACM94386400

Product Name

[4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate

Structure

Structure

CAS

94386-40-0

Category

Heterocyclic Organic Compound

Synonyms

EINECS 305-262-2, CID216438, (4-(1-Methylvinyl)-1-cyclohexen-1-yl)methyl isovalerate, 94386-40-0

IUPAC Name

(4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate

Molecular Weight

236.349860 [g/mol]

Molecular Formula

C₁₅H₂₄O₂

Canonical SMILES

CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C

InChI Key

YOKIAMRQWJSVRG-UHFFFAOYSA-N

EC Number

305-262-2

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?

The molecular formula is C15H24O2.

When was [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate created in PubChem?

It was created on August 9, 2005.

What is the IUPAC name of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?

The IUPAC name is (4-prop-1-en-2-ylcyclohexen-1-yl)methyl 3-methylbutanoate.

What is the molecular weight of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?

The molecular weight is 236.35 g/mol.

What is the Canonical SMILES representation of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?

The Canonical SMILES representation is CC(C)CC(=O)OCC1=CCC(CC1)C(=C)C.

What is the InChIKey of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?

The InChIKey is YOKIAMRQWJSVRG-UHFFFAOYSA-N.

How many hydrogen bond donor counts does [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate have?

It has 0 hydrogen bond donor counts.

What is the XLogP3-AA value of [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate?

The XLogP3-AA value is 3.9.

How many rotatable bond counts does [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate have?

It has 6 rotatable bond counts.

Is [4-(1-Methylvinyl)-1-cyclohexen-1-yl]methyl isovalerate a canonicalized compound?

Yes, it is a canonicalized compound.

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