ISOCYCLOCITRAL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C10H16O
Molecular Weight	152.2334
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOCYCLOCITRAL

Structure Search

SMILES

CC1C=C(C)CC(C=O)C1C

InChI

InChIKey=DEMWVPUIZCCHPT-UHFFFAOYSA-N

InChI=1S/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C10H16O
Molecular Weight	152.2334
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:37:53 GMT 2025` Edited by `admin` on `Mon Mar 31 20:37:53 GMT 2025`
Record UNII	38HRF2I56T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOCYCLOCITRAL

Common Name

English

3,5,6-TRIMETHYL-3-CYCLOHEXENYLCARBALDEHYDE

Preferred Name

English

(±)-3,5,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE

Systematic Name

English

3-CYCLOHEXENE-1-CARBOXALDEHYDE, 3,5,6-TRIMETHYL-

Systematic Name

English

3,5,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE, (±)-

Systematic Name

English

3,5,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBALDEHYDE

Systematic Name

English

3,5,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80274040

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY

DAILYMED

38HRF2I56T

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY

ECHA (EC/EINECS)

215-638-7

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

NON-SPECIFIC SUBSTITUTION

PUBCHEM

106735

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY

CAS

1335-66-6

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

NON-SPECIFIC SUBSTITUTION

RXCUI

2467134

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY

FDA UNII

38HRF2I56T

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY

CAS

67634-07-5

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY

ECHA (EC/EINECS)

266-810-3

Created by admin on Mon Mar 31 20:37:53 GMT 2025 , Edited by admin on Mon Mar 31 20:37:53 GMT 2025

PRIMARY