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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(3-Methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one

SMILES

CC(C)CCC1=CC=C2OCC(=O)COC2=C1

InChI

InChIKey=AWAHFLZWCBUHMX-UHFFFAOYSA-N
InChI=1S/C14H18O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h5-7,10H,3-4,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H18O3
Molecular Weight 234.2909
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 10:37:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:16 GMT 2023
Record UNII
U65Z9ULK5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(3-Methylbutyl)-2H-1,5-benzodioxepin-3(4H)-one
Systematic Name English
2H-1,5-Benzodioxepin-3(4H)-one, 7-(3-methylbutyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11064349
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
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CAS
362467-67-2
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY
FDA UNII
U65Z9ULK5H
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID60889171
Created by admin on Sat Dec 16 10:37:16 GMT 2023 , Edited by admin on Sat Dec 16 10:37:16 GMT 2023
PRIMARY