Hexyl (E)-oct-2-enoate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H26O2
Molecular Weight	226.355
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Hexyl (E)-oct-2-enoate

Structure Search

SMILES

CCCCCCOC(=O)\C=C\CCCCC

InChI

InChIKey=JTOLHKRIXOJYBA-ZRDIBKRKSA-N

InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h10,12H,3-9,11,13H2,1-2H3/b12-10+

HIDE SMILES / InChI

Molecular Formula	C14H26O2
Molecular Weight	226.355
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 19:26:08 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:08 GMT 2025`
Record UNII	FV88LY2FVL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Octenoic acid, hexyl ester, (E)-

Preferred Name

English

Hexyl (E)-oct-2-enoate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

287-596-8

Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025

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EPA CompTox

DTXSID40234741

Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025

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CAS

85554-64-9

Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025

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PUBCHEM

5743962

Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025

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FDA UNII

FV88LY2FVL

Created by admin on Tue Apr 01 19:26:08 GMT 2025 , Edited by admin on Tue Apr 01 19:26:08 GMT 2025

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