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

Details

Stereochemistry RACEMIC
Molecular Formula C12H24O
Molecular Weight 184.3184
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5,7,7-TETRAMETHYLOCTANAL, R,R-(±)-

SMILES

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

InChI

InChIKey=HZAYXCABCQOHLC-GHMZBOCLSA-N
InChI=1S/C12H24O/c1-10(8-12(3,4)5)6-7-11(2)9-13/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H24O
Molecular Weight 184.3184
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 08:33:07 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:07 GMT 2023
Record UNII
UI8GPI5T05
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5,7,7-TETRAMETHYLOCTANAL, R,R-(±)-
Common Name English
OCTANAL, 2,5,7,7-TETRAMETHYL-, (R*,R*)-
Systematic Name English
Code System Code Type Description
FDA UNII
UI8GPI5T05
Created by admin on Sat Dec 16 08:33:07 GMT 2023 , Edited by admin on Sat Dec 16 08:33:07 GMT 2023
PRIMARY
PUBCHEM
92470347
Created by admin on Sat Dec 16 08:33:07 GMT 2023 , Edited by admin on Sat Dec 16 08:33:07 GMT 2023
PRIMARY