2,2-Dimethyl-3-hexanol

C₈H₁₈OCAS 4209-90-9130.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O
Molar mass: 130.23 g/mol
Exact mass: 130.1358 Da
Density: 0.92 g/mL (at 25 °C)
Boiling point: 156 °C
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

4209-90-9

SMILES

CCCC(O)C(C)(C)C

InChIKey

PFHLGQKVKALLMD-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

3-Hexanol, 2,2-dimethyl-
Propyl-tert-butylcarbinol
NSC 95419
tert-Butyl propyl carbinol

Work with 2,2-Dimethyl-3-hexanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Dimethyl-3-pentanol3970-62-557 % similar 4-Heptanol589-55-943 % similar (+)-2-Pentanol26184-62-340 % similar 2-Pentanol6032-29-740 % similar 2-Methyl-3-hexanol617-29-838 % similar 3-Hexanol623-37-038 % similar 1,2-Pentanediol5343-92-037 % similar 4-Nonanol5932-79-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylhexanol104-76-7 1-Octanol111-87-5 2-Octanol123-96-6 Dibutyl ether142-96-1 5-Methyl-3-heptanol18720-65-5 2,5-Dimethyl-3-hexanol19550-07-3 3-Octanol20296-29-1 2,3,4-Trimethyl-3-pentanol3054-92-0

Elsewhere

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