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Details

Stereochemistry RACEMIC
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one

SMILES

O=C1C[C@H]2C[C@@H](O1)[C@@H]3CCC[C@H]23

InChI

InChIKey=MHCQWHPTAZHNSX-FNCVBFRFSA-N
InChI=1S/C10H14O2/c11-10-5-6-4-9(12-10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6-,7-,8-,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H14O2
Molecular Weight 166.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:47:37 GMT 2025
Edited
by admin
on Wed Apr 02 10:47:37 GMT 2025
Record UNII
XP8Y9R5FEQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Octahydro-1,5-methano-3H-cyclopent[c]oxepin-3-one
Systematic Name English
1,5-Methano-3H-cyclopent[c]oxepin-3-one, octahydro-
Preferred Name English
Code System Code Type Description
FDA UNII
XP8Y9R5FEQ
Created by admin on Wed Apr 02 10:47:37 GMT 2025 , Edited by admin on Wed Apr 02 10:47:37 GMT 2025
PRIMARY
CAS
55764-18-6
Created by admin on Wed Apr 02 10:47:37 GMT 2025 , Edited by admin on Wed Apr 02 10:47:37 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID70866498
Created by admin on Wed Apr 02 10:47:37 GMT 2025 , Edited by admin on Wed Apr 02 10:47:37 GMT 2025
PRIMARY