Input interpretation
(R, R)-(-)-butane-2, 3-diol
Chemical names and formulas
formula | CH_3CH(OH)CH(OH)CH_3 Hill formula | C_4H_10O_2 name | (R, R)-(-)-butane-2, 3-diol IUPAC name | (2R, 3R)-butane-2, 3-diol alternate names | 2, 3-butanediol | 2, 3-butylene glycol | (2R, 3R)-(-)-2, 3-butanediol | (2R, 3R)-2, 3-butanediol | (2R, 3R)-butane-2, 3-diol mass fractions | C (carbon) 53.3% | H (hydrogen) 11.2% | O (oxygen) 35.5%
Lewis structure
Draw the Lewis structure of (R, R)-(-)-butane-2, 3-diol. Start by drawing the overall structure of the molecule: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: 4 n_C, val + 10 n_H, val + 2 n_O, val = 38 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), and oxygen (n_O, full = 8): 4 n_C, full + 10 n_H, full + 2 n_O, full = 68 Subtracting these two numbers shows that 68 - 38 = 30 bonding electrons are needed. Each bond has two electrons, so the above diagram has all the necessary bonds. There are 15 bonds and hence 30 bonding electrons in the diagram. Lastly, fill in the remaining unbonded electrons on each atom. In total, there remain 38 - 30 = 8 electrons left to draw: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 90.12 g/mol phase | liquid (at STP) melting point | 16 °C boiling point | 77.35 °C (measured at 1333 Pa) density | 0.987 g/cm^3 solubility in water | very soluble
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | -0.59 predicted LogS | 0.83
Basic drug properties
approval status | experimental | small molecule
Liquid properties (at STP)
density | 0.987 g/cm^3 vapor pressure | 1.7 mmHg (at 20 °C) refractive index | 1.433
Units
Thermodynamic properties
molar heat of vaporization | 47.9 kJ/mol specific heat of vaporization | 0.532 kJ/g (at STP)
Chemical identifiers
CAS number | 24347-58-8 Beilstein number | 1718901 PubChem CID number | 225936 PubChem SID number | 24854259 SMILES identifier | CC(C(C)O)O InChI identifier | InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H, 1-2H3/t3-, 4-/m1/s1 InChI key | OWBTYPJTUOEWEK-UHFFFAOYAE MDL number | MFCD00064267
Safety properties
flash point | 85 °C