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Details

Stereochemistry RACEMIC
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIMETHYLCYCLOPENTANONE, TRANS-

SMILES

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

InChI

InChIKey=UKJQTRVEZWBIRE-PHDIDXHHSA-N
InChI=1S/C7H12O/c1-5-3-6(2)7(8)4-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H12O
Molecular Weight 112.1696
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 14:20:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:20:49 GMT 2023
Record UNII
QE460I7GVE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIMETHYLCYCLOPENTANONE, TRANS-
Systematic Name English
CYCLOPENTANONE, 2,4-DIMETHYL-, (2R,4R)-REL-
Systematic Name English
CYCLOPENTANONE, 2,4-DIMETHYL-, TRANS-
Systematic Name English
Code System Code Type Description
CAS
51548-10-8
Created by admin on Sat Dec 16 14:20:49 GMT 2023 , Edited by admin on Sat Dec 16 14:20:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID80546618
Created by admin on Sat Dec 16 14:20:49 GMT 2023 , Edited by admin on Sat Dec 16 14:20:49 GMT 2023
PRIMARY
FDA UNII
QE460I7GVE
Created by admin on Sat Dec 16 14:20:49 GMT 2023 , Edited by admin on Sat Dec 16 14:20:49 GMT 2023
PRIMARY
PUBCHEM
643072
Created by admin on Sat Dec 16 14:20:49 GMT 2023 , Edited by admin on Sat Dec 16 14:20:49 GMT 2023
PRIMARY