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Details

Stereochemistry RACEMIC
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-tert-Butyloxepan-2-one

SMILES

CC(C)(C)C1CCCCC(=O)O1

InChI

InChIKey=GFKHGDDHRNDUDP-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12-8/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:15:09 GMT 2023
Record UNII
AN4VH743PG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-tert-Butyloxepan-2-one
Systematic Name English
7-(1,1-Dimethylethyl)-2-oxepanone
Systematic Name English
2-Oxepanone, 7-(1,1-dimethylethyl)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70973050
Created by admin on Sat Dec 16 18:15:09 GMT 2023 , Edited by admin on Sat Dec 16 18:15:09 GMT 2023
PRIMARY
PUBCHEM
93691
Created by admin on Sat Dec 16 18:15:09 GMT 2023 , Edited by admin on Sat Dec 16 18:15:09 GMT 2023
PRIMARY
CAS
57512-44-4
Created by admin on Sat Dec 16 18:15:09 GMT 2023 , Edited by admin on Sat Dec 16 18:15:09 GMT 2023
PRIMARY
FDA UNII
AN4VH743PG
Created by admin on Sat Dec 16 18:15:09 GMT 2023 , Edited by admin on Sat Dec 16 18:15:09 GMT 2023
PRIMARY