2,2,6-Trimethyl-5-heptenal

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H18O
Molecular Weight	154.2493
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,6-Trimethyl-5-heptenal

Structure Search

SMILES

CC(C)=CCCC(C)(C)C=O

InChI

InChIKey=IHUYETNQLCGWSV-UHFFFAOYSA-N

InChI=1S/C10H18O/c1-9(2)6-5-7-10(3,4)8-11/h6,8H,5,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C10H18O
Molecular Weight	154.2493
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 17:44:50 GMT 2025` Edited by `admin` on `Tue Apr 01 17:44:50 GMT 2025`
Record UNII	EJ3S25TG9H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2,6-Trimethyl-5-heptenal

Systematic Name

English

5-Heptenal, 2,2,6-trimethyl-

Preferred Name

English

2,2,6-Trimethylhept-5-enal

Systematic Name

English

Code System Code Type Description

FDA UNII

EJ3S25TG9H

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

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ECHA (EC/EINECS)

257-809-9

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

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CAS

52279-00-2

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

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EPA CompTox

DTXSID5068730

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

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PUBCHEM

104140

Created by admin on Tue Apr 01 17:44:50 GMT 2025 , Edited by admin on Tue Apr 01 17:44:50 GMT 2025

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