U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H22O2
Molecular Weight 210.3126
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYISOHEXYL 3-CYCLOHEXENE CARBOXALDEHYDE

SMILES

CC(C)(O)CCCC1=CCC(CC1)C=O

InChI

InChIKey=ORMHZBNNECIKOH-UHFFFAOYSA-N
InChI=1S/C13H22O2/c1-13(2,15)9-3-4-11-5-7-12(10-14)8-6-11/h5,10,12,15H,3-4,6-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H22O2
Molecular Weight 210.3126
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:55:56 GMT 2023
Edited
by admin
on Fri Dec 15 18:55:56 GMT 2023
Record UNII
QUE43B9Z2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYISOHEXYL 3-CYCLOHEXENE CARBOXALDEHYDE
INCI  
INCI  
Official Name English
HYDROXYISOHEXYL 3-CYCLOHEXENE CARBOXALDEHYDE [INCI]
Common Name English
4-(4-HYDROXY-4-METHYLPENTYL)CYCLOHEX-3-ENE-1-CARBALDEHYDE
Systematic Name English
3-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-(4-HYDROXY-4-METHYLPENTYL)-
Systematic Name English
Code System Code Type Description
DAILYMED
QUE43B9Z2Q
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-863-4
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
CAS
31906-04-4
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
FDA UNII
QUE43B9Z2Q
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
PUBCHEM
91604
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
MESH
C092244
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID1027970
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
WIKIPEDIA
Tetrahydroxy-1,4-benzoquinone
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
RXCUI
1426621
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY RxNorm
SMS_ID
100000159559
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY
EVMPD
SUB169815
Created by admin on Fri Dec 15 18:55:56 GMT 2023 , Edited by admin on Fri Dec 15 18:55:56 GMT 2023
PRIMARY