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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 4-(2,2,3-TRIMETHYLCYCLOPENTYL)BUTANOIC ACID, CIS-

SMILES

C[C@H]1CC[C@@H](CCCC(O)=O)C1(C)C

InChI

InChIKey=LYFXCRCUENNESS-VHSXEESVSA-N
InChI=1S/C12H22O2/c1-9-7-8-10(12(9,2)3)5-4-6-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)/t9-,10+/m0/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 Mon Mar 31 20:30:53 GMT 2025
Edited
by admin
on Mon Mar 31 20:30:53 GMT 2025
Record UNII
5TW408347K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4529
Preferred Name English
4-(2,2,3-TRIMETHYLCYCLOPENTYL)BUTANOIC ACID, CIS-
Common Name English
(±)-4-(2,2,3-TRIMETHYLCYCLOPENTYL)BUTANOIC ACID, CIS-
Common Name English
4-(2,2,3-TRIMETHYLCYCLOPENTYL)BUTANOIC ACID
Systematic Name English
2,2,3-TRIMETHYLCYCLOPENTANEBUTANOIC ACID
Systematic Name English
GIV-3727
Code English
CYCLOPENTANEBUTANOIC ACID, 2,2,3-TRIMETHYL-, (1R,3S)-REL-
Systematic Name English
2,2,3-TRIMETHYLCYCLOPENTANEBUTANOIC ACID [MI]
Common Name English
CIS-4-(2,2,3-TRIMETHYLCYCLOPENTYL)BUTANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
957136-80-0
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
5TW408347K
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY
JECFA MONOGRAPH
1877
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY
PUBCHEM
76972708
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY
SMS_ID
100000174226
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY
CAS
1426542-57-5
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY
MERCK INDEX
m11153
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID10893723
Created by admin on Mon Mar 31 20:30:53 GMT 2025 , Edited by admin on Mon Mar 31 20:30:53 GMT 2025
PRIMARY