CCCCCC(C#C)O
CAS: 818-72-4
Name: oct-1-yn-3-ol
SMILES: CCCCCC(C#C)O

Molecular Processing

Molecular formula
C8H14O
Molecular weight
126.2
Exact mass
126.1045
XLogP
1.56
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
38.98

Supplementary Information

InChIKey: VUGRNZHKYVHZSN-UHFFFAOYSA-N
Synonyme
1-OCTYN-3-OL818-72-4Oct-1-yne-3-ol3-hydroxyoct-1-yneDTXSID7022124EINECS 212-455-4EINECS 253-713-6DG52FEN1K1(1)-Oct-1-yn-3-olBRN 10986421-ethynyl-1-hexanol(rs)-1-octyn-3-olDTXCID6021243-01-00-01996 (Beilstein Handbook Reference)Oct1yne3ol(1)Oct1yn3olRefChem:435221(+-)-1-OCTYN-3-OLoct-1-yn-3-ol1-Octyne-3-olMFCD00004588UNII-DG52FEN1K1rac-1-octyn-3-oloct-1 yn-3 ol1-Octyn-3-ol, 96%SCHEMBL134483SCHEMBL7938129CHEMBL3182633SCHEMBL19614286VUGRNZHKYVHZSN-UHFFFAOYSA-
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