Input interpretation
sec-butanol | (R)-(-)-dihydro-5-(p-tolylsulfonyloxymethyl)-2(3 H)-furanone
Chemical names and formulas
| sec-butanol | (R)-(-)-dihydro-5-(p-tolylsulfonyloxymethyl)-2(3 H)-furanone formula | CH_3CH_2CH(OH)CH_3 | C_12H_14O_5S Hill formula | C_4H_10O | C_12H_14O_5S name | sec-butanol | (R)-(-)-dihydro-5-(p-tolylsulfonyloxymethyl)-2(3 H)-furanone IUPAC name | butan-2-ol | 4-methylbenzenesulfonic acid [(2R)-5-oxo-2-tetrahydrofuranyl]methyl ester alternate names | 2-butanol | 2-hydroxybutane | butan-2-ol | sec-butyl alcohol | [(2R)-5-oxooxolan-2-yl]methyl 4-methylbenzenesulfonate | [(2R)-5-oxotetrahydrofuran-2-yl]methyl 4-methylbenzenesulfonate | 4-methylbenzenesulfonic acid [(2R)-5-ketotetrahydrofuran-2-yl]methyl ester mass fractions | C (carbon) 64.8% | H (hydrogen) 13.6% | O (oxygen) 21.6% | C (carbon) 53.3% | H (hydrogen) 5.22% | O (oxygen) 29.6% | S (sulfur) 11.9%
Structure diagrams
| sec-butanol | (R)-(-)-dihydro-5-(p-tolylsulfonyloxymethyl)-2(3 H)-furanone vertex count | 5 | 18 edge count | 5 | 19 Schultz index | 68 | 2784 Wiener index | 18 | 659 Hosoya index | 7 | 4108 Balaban index | 2.54 | 1.758
3D structure
3D structure
Basic properties
| sec-butanol | (R)-(-)-dihydro-5-(p-tolylsulfonyloxymethyl)-2(3 H)-furanone molar mass | 74.12 g/mol | 270.3 g/mol phase | liquid (at STP) | solid (at STP) melting point | -115 °C | 86.5 °C boiling point | 98 °C | density | 0.808 g/cm^3 |
Units
Hydrophobicity and permeability properties
| sec-butanol experimental LogP hydrophobicity | 0.61 predicted LogP hydrophobicity | 0.66 predicted LogS | 0.42