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Details

Stereochemistry ACHIRAL
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-HEPTENYL 2-METHYL PROPANOATE, (3E)-

SMILES

CCC\C=C\CCOC(=O)C(C)C

InChI

InChIKey=RMOVDPSOWOBAKR-VOTSOKGWSA-N
InChI=1S/C11H20O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:07:22 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:22 GMT 2023
Record UNII
80DQ93V6ZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HEPTENYL 2-METHYL PROPANOATE, (3E)-
Common Name English
TRANS-3-HEPTENYL 2-METHYLPROPANOATE [FHFI]
Common Name English
TRANS-3-HEPTENYL 2-METHYL PROPANOATE
Common Name English
FEMA NO. 3494
Code English
PROPANOIC ACID, 2-METHYL-, (3E)-3-HEPTENYL ESTER
Common Name English
TRANS-3-HEPTENYL ISOBUTYRATE
Systematic Name English
PROPANOIC ACID, 2-METHYL-, (3E)-3-HEPTEN-1-YL ESTER
Common Name English
(E)-3-HEPTEN-1-YL ISOBUTYRATE
Systematic Name English
3-HEPTENYL ISOBUTYRATE, TRANS-
Systematic Name English
3-HEPTENYL 2-METHYL PROPANOATE, (E)-
Common Name English
Code System Code Type Description
PUBCHEM
6437137
Created by admin on Fri Dec 15 18:07:23 GMT 2023 , Edited by admin on Fri Dec 15 18:07:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID10174867
Created by admin on Fri Dec 15 18:07:22 GMT 2023 , Edited by admin on Fri Dec 15 18:07:22 GMT 2023
PRIMARY
CAS
207801-32-9
Created by admin on Fri Dec 15 18:07:22 GMT 2023 , Edited by admin on Fri Dec 15 18:07:22 GMT 2023
PRIMARY
FDA UNII
80DQ93V6ZN
Created by admin on Fri Dec 15 18:07:22 GMT 2023 , Edited by admin on Fri Dec 15 18:07:22 GMT 2023
PRIMARY
JECFA MONOGRAPH
641
Created by admin on Fri Dec 15 18:07:22 GMT 2023 , Edited by admin on Fri Dec 15 18:07:22 GMT 2023
PRIMARY