1,1-Dimethyl-5-methyleneheptyl valerate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H28O2
Molecular Weight	240.3816
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dimethyl-5-methyleneheptyl valerate

Structure Search

SMILES

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

InChI

InChIKey=AHRBCOJLJNGMPZ-UHFFFAOYSA-N

InChI=1S/C15H28O2/c1-6-8-11-14(16)17-15(4,5)12-9-10-13(3)7-2/h3,6-12H2,1-2,4-5H3

HIDE SMILES / InChI

Molecular Formula	C15H28O2
Molecular Weight	240.3816
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:27:25 GMT 2025` Edited by `admin` on `Tue Apr 01 17:27:25 GMT 2025`
Record UNII	RV4A3425ES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethyl-5-methyleneheptyl valerate

Systematic Name

English

1,1-Dimethyl-5-methyleneheptyl pentanoate

Preferred Name

English

Pentanoic acid, 1,1-dimethyl-5-methyleneheptyl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

306-301-6

Created by admin on Tue Apr 01 17:27:25 GMT 2025 , Edited by admin on Tue Apr 01 17:27:25 GMT 2025

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PUBCHEM

16206161

Created by admin on Tue Apr 01 17:27:25 GMT 2025 , Edited by admin on Tue Apr 01 17:27:25 GMT 2025

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CAS

96846-65-0

Created by admin on Tue Apr 01 17:27:25 GMT 2025 , Edited by admin on Tue Apr 01 17:27:25 GMT 2025

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FDA UNII

RV4A3425ES

Created by admin on Tue Apr 01 17:27:25 GMT 2025 , Edited by admin on Tue Apr 01 17:27:25 GMT 2025

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EPA CompTox

DTXSID80242587

Created by admin on Tue Apr 01 17:27:25 GMT 2025 , Edited by admin on Tue Apr 01 17:27:25 GMT 2025

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