CCCC#C
CAS: 627-19-0
Name: pent-1-yne
SMILES: CCCC#C

Molecular Processing

Molecular formula
C5H8
Molecular weight
68.12
Exact mass
68.0626
XLogP
1.42
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
23.74

Supplementary Information

InChIKey: IBXNCJKFFQIKKY-UHFFFAOYSA-N
Synonyme
1-PENTYNEpent-1-yne627-19-0PropylacetyleneMFCD00009469Acetylene, propyl-EW8XD8E5WFPentyne1-Pentine; Propylacetylene1-Pentyne, 99%pentinpentynn-pentyne1-n-pentyneEINECS 210-987-1AI3-37709UNII-EW8XD8E5WFSCHEMBL8331SCHEMBL8451SCHEMBL22821SCHEMBL23580SCHEMBL56198SCHEMBL75276CHEMBL16262SCHEMBL601576C3H7C.$.CHSCHEMBL3818144SCHEMBL3819004SCHEMBL6477842SCHEMBL6478607
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