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Details

Stereochemistry ACHIRAL
Molecular Formula C11H6O
Molecular Weight 154.1647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHYLCAPILLIN

SMILES

O=C(C#CC#C)C1=CC=CC=C1

InChI

InChIKey=ZKQQJUBGJLUJNT-UHFFFAOYSA-N
InChI=1S/C11H6O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h1,4-8H

HIDE SMILES / InChI

Molecular Formula C11H6O
Molecular Weight 154.1647
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 Wed Apr 02 06:48:31 GMT 2025
Edited
by admin
on Wed Apr 02 06:48:31 GMT 2025
Record UNII
84398D6QUZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMETHYLCAPILLIN
Common Name English
1-PHENYL-2,4-PENTADIYN-1-ONE
Preferred Name English
2,4-PENTADIYN-1-ONE, 1-PHENYL-
Systematic Name English
1-PHENYLPENTA-2,4-DIYN-1-ONE
Systematic Name English
Code System Code Type Description
CAS
29743-36-0
Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025
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EPA CompTox
DTXSID801308633
Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025
PRIMARY
FDA UNII
84398D6QUZ
Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025
PRIMARY
PUBCHEM
592950
Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025
PRIMARY