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Details

Stereochemistry ACHIRAL
Molecular Formula C9H14O
Molecular Weight 138.2069
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4-DIMETHYL-2-CYCLOHEPTEN-1-ONE

SMILES

CC1(C)CCCC(=O)C=C1

InChI

InChIKey=HLEDGYPSKFZVFV-UHFFFAOYSA-N
InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)5-7-9/h5,7H,3-4,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H14O
Molecular Weight 138.2069
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:16:52 GMT 2025
Edited
by admin
on Mon Mar 31 20:16:52 GMT 2025
Record UNII
IPB5P3BQ3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4-DIMETHYL-2-CYCLOHEPTEN-1-ONE
Systematic Name English
2-CYCLOHEPTEN-1-ONE, 4,4-DIMETHYL-
Preferred Name English
Code System Code Type Description
PUBCHEM
53883083
Created by admin on Mon Mar 31 20:16:52 GMT 2025 , Edited by admin on Mon Mar 31 20:16:52 GMT 2025
PRIMARY
CAS
36295-77-9
Created by admin on Mon Mar 31 20:16:52 GMT 2025 , Edited by admin on Mon Mar 31 20:16:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID10189830
Created by admin on Mon Mar 31 20:16:52 GMT 2025 , Edited by admin on Mon Mar 31 20:16:52 GMT 2025
PRIMARY
FDA UNII
IPB5P3BQ3J
Created by admin on Mon Mar 31 20:16:52 GMT 2025 , Edited by admin on Mon Mar 31 20:16:52 GMT 2025
PRIMARY