(trans)-3-[3-(6-Phenyl-1,3,5-hexatriynyl)oxiranyl]oxiranemethanol

HCID 86740802
Substructure searchFind similar structures

Basic information

Standard SMILES
OC[C@@H]1O[C@H]1C1OC1C#CC#CC#Cc1ccccc1
InChIKey
WUJQHZFVNIVTKZ-ODZFXCKXSA-N
Molecular formula
C17H12O3
Average molar mass
264.27 g/mol

Names & identifiers

Preferred name
(trans)-3-[3-(6-Phenyl-1,3,5-hexatriynyl)oxiranyl]oxiranemethanol
IUPAC
[(2S,3R)-3-[3-(6-phenylhexa-1,3,5-triynyl)oxiran-2-yl]oxiran-2-yl]methanol

Names & synonyms

SCHEMBL10747096WUJQHZFVNIVTKZ-ODZFXCKXSA-N(trans)-3-[3-(6-Phenyl-1,3,5-hexatriynyl)oxiranyl]oxiranemethanol(trans)-3-[3-(6-Phenyl-1,3,5-hexatriynyl)oxiranyl]-oxiranemethanol

Database identifiers

PubChem CID
86740802

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
45.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20

Related reactions

2 records
New reaction record

Linked notes

Loading…