1-ETHENYL-4-ETHYNYLBENZENE
C₁₀H₈·128.170 g/mol·CID 10942441
IUPAC: 1-ethenyl-4-ethynylbenzene
Also known as: RefChem:432181, 965-741-2, 2499-64-1, 1-Ethynyl-4-vinylbenzene, 1-Ethynyl-4-vinyl-benzene (+11 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
128.170g/mol
Exact Mass
128.062600Da
Monoisotopic Mass
128.062600Da
XLogP
2.9
Polar Surface Area
0.0Ų
Complexity
150
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
2
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 128.2 g/mol
MW ≤ 500
✓ 2.9
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H226Flammable liquid and vaporH315Causes skin irritationH318Causes serious eye damageH335May cause respiratory irritationH412Harmful to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₁₀H₈
naphthalene
CID 931 · 128.2 g/mol
azulene
CID 9231 · 128.2 g/mol
1,2,3,4,5,6,7,8-octadeuterionaphthalene
CID 92148 · 136.2 g/mol
1-methylideneindene
CID 75581 · 128.2 g/mol
tricyclo[5.2.1.02,6]deca-1,3,6,8-tetraene
CID 120191 · 128.2 g/mol
naphthalene
CID 12199710 · 129.2 g/mol
2-deuterionaphthalene
CID 6912029 · 129.2 g/mol
5-cyclopenta-2,4-dien-1-ylidenecyclopenta-1,3-diene
CID 10908294 · 128.2 g/mol