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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-5-PROPYL-2-CYCLOHEXEN-1-ONE, (S)-

SMILES

CCC[C@@H]1CC(=O)C=C(C)C1

InChI

InChIKey=URQMEZRQHLCJKR-VIFPVBQESA-N
InChI=1S/C10H16O/c1-3-4-9-5-8(2)6-10(11)7-9/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:04 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:04 GMT 2023
Record UNII
E188X3456A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-5-PROPYL-2-CYCLOHEXEN-1-ONE, (S)-
Systematic Name English
(S)-CELERY KETONE
Common Name English
(+)-CELERY KETONE
Common Name English
2-CYCLOHEXEN-1-ONE, 3-METHYL-5-PROPYL-, (5S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
637565
Created by admin on Sat Dec 16 08:53:04 GMT 2023 , Edited by admin on Sat Dec 16 08:53:04 GMT 2023
PRIMARY
FDA UNII
E188X3456A
Created by admin on Sat Dec 16 08:53:04 GMT 2023 , Edited by admin on Sat Dec 16 08:53:04 GMT 2023
PRIMARY
CAS
1089183-36-7
Created by admin on Sat Dec 16 08:53:04 GMT 2023 , Edited by admin on Sat Dec 16 08:53:04 GMT 2023
PRIMARY