U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
QUE43B9Z2Q
Record Status Validated (UNII)
Record Version