3-Methyl-3-pentenyl isobutyrate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18O2
Molecular Weight	170.2487
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-Methyl-3-pentenyl isobutyrate

Structure Search

SMILES

C\C=C(/C)CCOC(=O)C(C)C

InChI

InChIKey=VPIXOJWXVMGOMY-WEVVVXLNSA-N

InChI=1S/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h5,8H,6-7H2,1-4H3/b9-5+

HIDE SMILES / InChI

Molecular Formula	C10H18O2
Molecular Weight	170.2487
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:22:02 GMT 2025` Edited by `admin` on `Tue Apr 01 19:22:02 GMT 2025`
Record UNII	Y2465W7LGJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methyl-3-pentenyl isobutyrate

Systematic Name

English

3-Methyl-3-penten-1-yl 2-methylpropanoate

Preferred Name

English

3-Methylpent-3-enyl isobutyrate

Systematic Name

English

Propanoic acid, 2-methyl-, 3-methyl-3-penten-1-yl ester

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

265-757-3

Created by admin on Tue Apr 01 19:22:02 GMT 2025 , Edited by admin on Tue Apr 01 19:22:02 GMT 2025

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FDA UNII

Y2465W7LGJ

Created by admin on Tue Apr 01 19:22:02 GMT 2025 , Edited by admin on Tue Apr 01 19:22:02 GMT 2025

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EPA CompTox

DTXSID0070316

Created by admin on Tue Apr 01 19:22:02 GMT 2025 , Edited by admin on Tue Apr 01 19:22:02 GMT 2025

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PUBCHEM

6436992

Created by admin on Tue Apr 01 19:22:02 GMT 2025 , Edited by admin on Tue Apr 01 19:22:02 GMT 2025

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CAS

65416-16-2

Created by admin on Tue Apr 01 19:22:02 GMT 2025 , Edited by admin on Tue Apr 01 19:22:02 GMT 2025

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