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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H20O
Molecular Weight 156.2652
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, (1S,2S)-

SMILES

CC(C)(C)[C@@H]1CCCC[C@@H]1O

InChI

InChIKey=DLTWBMHADAJAAZ-BDAKNGLRSA-N
InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H20O
Molecular Weight 156.2652
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:17 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:17 GMT 2023
Record UNII
A236YP4EMC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, (1S,2S)-
Systematic Name English
CYCLOHEXANOL, 2-TERT-BUTYL-, (+)-CIS-
Systematic Name English
CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, CIS-(+)-
Systematic Name English
2.ALPHA.-(1,1-DIMETHYLETHYL)CYCLOHEXAN-1.ALPHA.-OL
Systematic Name English
J221.595K
Code English
(+)-(1S,2S)-2-TERT-BUTYLCYCLOHEXANOL
Systematic Name English
Code System Code Type Description
FDA UNII
A236YP4EMC
Created by admin on Sat Dec 16 11:18:18 GMT 2023 , Edited by admin on Sat Dec 16 11:18:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID901269862
Created by admin on Sat Dec 16 11:18:18 GMT 2023 , Edited by admin on Sat Dec 16 11:18:18 GMT 2023
PRIMARY
CAS
13492-06-3
Created by admin on Sat Dec 16 11:18:18 GMT 2023 , Edited by admin on Sat Dec 16 11:18:18 GMT 2023
PRIMARY
PUBCHEM
81634
Created by admin on Sat Dec 16 11:18:18 GMT 2023 , Edited by admin on Sat Dec 16 11:18:18 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
DIASTEREOISOMER -> DIASTEREOISOMER
RACEMATE -> ENANTIOMER
DIASTEREOISOMER -> DIASTEREOISOMER