trivial
1,4-Butanediol
systemic
Butane-1,4-diol
1,4-Butanediol
systemic
Butane-1,4-diol
Identifiers
InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N
Formula: C4H10O2
CAS Registry numbers:
110-63-4
Descriptors
Bioavailability-related
Molecular weight: 90.07 DaPartition coefficient: -0.25
H bond donors: 2
H bond acceptors: 2
Rotatable bonds: 3
Molar refractivity: 23.41 J mol-1 K-1
Polar surface area: 40.46 Å2
Generic
Stereocenters: 0Heteroatoms: 2
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 0Heterocycles: 0
Aromatic rings: 0
Aromatic carbocycles: 0
Aromatic heterocycles: 0
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0