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Details

Stereochemistry ACHIRAL
Molecular Formula C15H28O2
Molecular Weight 240.3816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dimethyl-5-methyleneheptyl valerate

SMILES

CCCCC(=O)OC(C)(C)CCCC(=C)CC

InChI

InChIKey=AHRBCOJLJNGMPZ-UHFFFAOYSA-N
InChI=1S/C15H28O2/c1-6-8-11-14(16)17-15(4,5)12-9-10-13(3)7-2/h3,6-12H2,1-2,4-5H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,1-Dimethyl-5-methyleneheptyl valerate
Systematic Name English
1,1-Dimethyl-5-methyleneheptyl pentanoate
Systematic Name English
Pentanoic acid, 1,1-dimethyl-5-methyleneheptyl ester
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
306-301-6
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
PUBCHEM
16206161
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
CAS
96846-65-0
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
FDA UNII
RV4A3425ES
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID80242587
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
NIH
NCATS
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