CCCCCCC#C
CAS: 629-05-0
Name: oct-1-yne
SMILES: CCCCCCC#C

Molecular Processing

Molecular formula
C8H14
Molecular weight
110.2
Exact mass
110.1096
XLogP
2.59
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
4
Heavy atoms
8
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
0.75
Molar refractivity
37.59

Supplementary Information

InChIKey: UMIPWJGWASORKV-UHFFFAOYSA-N
Synonyme
1-OCTYNEoct-1-yne629-05-0Hexylacetylene7S3FMU8W67DTXSID9060863RefChem:76790DTXCID4043565211-069-3MFCD0000954632073-03-3Octyne-11-Octine; Hexylacetylene; n-HexylacetyleneEINECS 211-069-31-Octyne, 97%BRN 1734494n-hexylacetyliden-octynen-HexylacetyleneEC 211-069-3UNII-7S3FMU8W67SCHEMBL36644SCHEMBL386994-01-00-01034 (Beilstein Handbook Reference)SCHEMBL128196SCHEMBL254343SCHEMBL975876SCHEMBL1015723SCHEMBL1453670SCHEMBL1454320
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