Input interpretation
1-butanol | 2, 4-dimethyl-2, 4-pentanediol
Chemical names and formulas
| 1-butanol | 2, 4-dimethyl-2, 4-pentanediol formula | CH_3(CH_2)_3OH | CH_3C(OH)(CH_3)CH_2C(OH)(CH_3)_2 Hill formula | C_4H_10O | C_7H_16O_2 name | 1-butanol | 2, 4-dimethyl-2, 4-pentanediol IUPAC name | butan-1-ol | 2, 4-dimethylpentane-2, 4-diol alternate names | 1-hydroxybutane | butan-1-ol | butanol | butyl alcohol | hemostyp | N-butanol | N-butyl alcohol | 2, 4-dimethylpentane-2, 4-diol mass fractions | C (carbon) 64.8% | H (hydrogen) 13.6% | O (oxygen) 21.6% | C (carbon) 63.6% | H (hydrogen) 12.2% | O (oxygen) 24.2%
Structure diagrams
| 1-butanol | 2, 4-dimethyl-2, 4-pentanediol vertex count | 5 | 9 edge count | 5 | 10 Schultz index | 74 | 322 Wiener index | 20 | 88 Hosoya index | 8 | 24 Balaban index | 2.191 | 3.746
3D structure
3D structure
Basic properties
| 1-butanol | 2, 4-dimethyl-2, 4-pentanediol molar mass | 74.12 g/mol | 132.2 g/mol phase | liquid (at STP) | liquid (at STP) melting point | -90 °C | boiling point | 117 °C | 99 °C density | 0.81 g/cm^3 | 0.92 g/cm^3
Units
Hydrophobicity and permeability properties
| 1-butanol experimental LogP hydrophobicity | 0.88 predicted LogP hydrophobicity | 0.84 predicted LogS | 0.33