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Structure

Butanoic acid,3-methyl-,3-cyclohexylpropyl ester

CAS
93857-92-2
Catalog Number
ACM93857922
Category
Other Products
Molecular Weight
226.35504
Molecular Formula
C14H26O2

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Specification

Density
0.916g/cm³
What is the molecular formula of Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester?

The molecular formula is C14H26O2.

When was Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester created and modified in PubChem?

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

What is the IUPAC Name of Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester?

The IUPAC Name is 3-cyclohexylpropyl 3-methylbutanoate.

What is the InChIKey of Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester?

The InChIKey is UBRSOJDKMYAROK-UHFFFAOYSA-N.

What is the Canonical SMILES of Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester?

The Canonical SMILES is CC(C)CC(=O)OCCCC1CCCCC1.

What is the molecular weight of Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester?

The molecular weight is 226.35 g/mol.

How many hydrogen bond acceptors does Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester have?

It has 2 hydrogen bond acceptors.

What is the exact mass of Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester?

The exact mass is 226.193280068 g/mol.

How many rotatable bond counts does Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester have?

It has 7 rotatable bond counts.

Is Butanoic acid, 3-methyl-, 3-cyclohexylpropyl ester canonicalized in PubChem?

Yes, it is compound is canonicalized in PubChem.

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