2-PROPEN-1-YL 2,2-DIMETHYLHEXANOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H20O2
Molecular Weight	184.2753
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-PROPEN-1-YL 2,2-DIMETHYLHEXANOATE

Structure Search

SMILES

CCCCC(C)(C)C(=O)OCC=C

InChI

InChIKey=RWRYSHLZUMOHBQ-UHFFFAOYSA-N

InChI=1S/C11H20O2/c1-5-7-8-11(3,4)10(12)13-9-6-2/h6H,2,5,7-9H2,1,3-4H3

HIDE SMILES / InChI

Molecular Formula	C11H20O2
Molecular Weight	184.2753
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 `Sat Dec 16 12:29:46 GMT 2023` Edited by `admin` on `Sat Dec 16 12:29:46 GMT 2023`
Record UNII	QF2U6WQL8M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-PROPEN-1-YL 2,2-DIMETHYLHEXANOATE

Systematic Name

English

ALLYL DIMETHYLHEXANOATE

Systematic Name

English

HEXANOIC ACID, 2,2-DIMETHYL-, 2-PROPEN-1-YL ESTER

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

304-247-8

Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023

PRIMARY

PUBCHEM

3024117

Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023

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CAS

60545-33-7

Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023

PRIMARY

FDA UNII

QF2U6WQL8M

Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023

PRIMARY

EPA CompTox

DTXSID60241270

Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023

PRIMARY

CAS

94247-77-5

Created by admin on Sat Dec 16 12:29:46 GMT 2023 , Edited by admin on Sat Dec 16 12:29:46 GMT 2023

ALTERNATIVE