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Details

Stereochemistry RACEMIC
Molecular Formula C12H22O2
Molecular Weight 198.3019
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TERT-BUTYLCYCLOHEXYL ACETATE, TRANS-

SMILES

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

InChI

InChIKey=FINOAUDUYKVGDS-GHMZBOCLSA-N
InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H22O2
Molecular Weight 198.3019
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 00:24:29 GMT 2023
Edited
by admin
on Sat Dec 16 00:24:29 GMT 2023
Record UNII
0PJF54P94Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TERT-BUTYLCYCLOHEXYL ACETATE, TRANS-
Systematic Name English
CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, ACETATE, (1R,2S)-REL-
Common Name English
TRANS-2-TERT-BUTYLCYCLOHEXYL ACETATE
Systematic Name English
CYCLOHEXANOL, 2-TERT-BUTYL-, ACETATE, TRANS-
Systematic Name English
CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, ACETATE, TRANS-
Systematic Name English
CYCLOHEXANOL, 2-(1,1-DIMETHYLETHYL)-, 1-ACETATE, (1R,2S)-REL-
Common Name English
2-TERT-BUTYLCYCLOHEXANOL ACETATE, TRANS-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
243-719-7
Created by admin on Sat Dec 16 00:24:29 GMT 2023 , Edited by admin on Sat Dec 16 00:24:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID001014824
Created by admin on Sat Dec 16 00:24:29 GMT 2023 , Edited by admin on Sat Dec 16 00:24:29 GMT 2023
PRIMARY
PUBCHEM
88481
Created by admin on Sat Dec 16 00:24:29 GMT 2023 , Edited by admin on Sat Dec 16 00:24:29 GMT 2023
PRIMARY
FDA UNII
0PJF54P94Y
Created by admin on Sat Dec 16 00:24:29 GMT 2023 , Edited by admin on Sat Dec 16 00:24:29 GMT 2023
PRIMARY
CAS
20298-70-8
Created by admin on Sat Dec 16 00:24:29 GMT 2023 , Edited by admin on Sat Dec 16 00:24:29 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER