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3,7-Dimethyloctyl valerate

Name: 3,7-Dimethyloctyl valerate
SKU: ACM93857933-1
Rating: 5 (1 reviews)

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Catalog NumberACM93857933-1

CAS Number93857-93-3

CategoryFatty-acid Products

Synonyms

3,7-Dimethyloctyl valerate, EINECS 299-227-8, CID3022687, 93857-93-3

IUPAC Name

3,7-dimethyloctyl pentanoate

Molecular Weight

242.397500 [g/mol]

Molecular Formula

C₁₅H₃₀O₂

InChI Key

LMPYVHIIYCATHK-UHFFFAOYSA-N

Boiling Point

272.5ºC at 760mmHg

Flash Point

126.6ºC

Purity

96%

Density

0.864g/cm³

Exact Mass

242.22500

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Custom Q&A

What is the molecular formula of 3,7-Dimethyloctyl valerate?

The molecular formula is C15H30O2.

What is the molecular weight of 3,7-Dimethyloctyl valerate?

The molecular weight is 242.40 g/mol.

What is the IUPAC name of 3,7-Dimethyloctyl valerate?

The IUPAC name is 3,7-dimethyloctyl pentanoate.

What is the Canonical SMILES of 3,7-Dimethyloctyl valerate?

The Canonical SMILES is CCCCC(=O)OCCC(C)CCCC(C)C.

What is the InChIKey of 3,7-Dimethyloctyl valerate?

The InChIKey is LMPYVHIIYCATHK-UHFFFAOYSA-N.

What is the CAS number of 3,7-Dimethyloctyl valerate?

The CAS number is 93857-93-3.

How many hydrogen bond acceptors are there in 3,7-Dimethyloctyl valerate?

There are 2 hydrogen bond acceptors.

What is the topological polar surface area of 3,7-Dimethyloctyl valerate?

The topological polar surface area is 26.3 Å2.

How many rotatable bond counts are there in 3,7-Dimethyloctyl valerate?

There are 11 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

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