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Details

Stereochemistry ACHIRAL
Molecular Formula C13H24O2
Molecular Weight 212.3285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYL 2,2-DIMETHYLCAPRYLATE

SMILES

CCCCCCC(C)(C)C(=O)OCC=C

InChI

InChIKey=COLWXZYBIQYHDB-UHFFFAOYSA-N
InChI=1S/C13H24O2/c1-5-7-8-9-10-13(3,4)12(14)15-11-6-2/h6H,2,5,7-11H2,1,3-4H3

HIDE SMILES / InChI

Molecular Formula C13H24O2
Molecular Weight 212.3285
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:29 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:29 GMT 2023
Record UNII
84CG5XR76A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLYL 2,2-DIMETHYLCAPRYLATE
Common Name English
2-PROPEN-1-YL 2,2-DIMETHYLOCTANOATE
Systematic Name English
ALLYL DIMETHYLOCTANOATE
Systematic Name English
OCTANOIC ACID, 2,2-DIMETHYL-, 2-PROPEN-1-YL ESTER
Systematic Name English
Code System Code Type Description
CAS
57947-71-4
Created by admin on Sat Dec 16 16:57:29 GMT 2023 , Edited by admin on Sat Dec 16 16:57:29 GMT 2023
PRIMARY
CAS
94247-79-7
Created by admin on Sat Dec 16 16:57:29 GMT 2023 , Edited by admin on Sat Dec 16 16:57:29 GMT 2023
NON-SPECIFIC SUBSTITUTION
FDA UNII
84CG5XR76A
Created by admin on Sat Dec 16 16:57:29 GMT 2023 , Edited by admin on Sat Dec 16 16:57:29 GMT 2023
PRIMARY
PUBCHEM
3024118
Created by admin on Sat Dec 16 16:57:29 GMT 2023 , Edited by admin on Sat Dec 16 16:57:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID20241271
Created by admin on Sat Dec 16 16:57:29 GMT 2023 , Edited by admin on Sat Dec 16 16:57:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
304-249-9
Created by admin on Sat Dec 16 16:57:29 GMT 2023 , Edited by admin on Sat Dec 16 16:57:29 GMT 2023
PRIMARY