2-Methylhexan-2-ol
Properties
- Molecular formula
- C7H16O
- Molar mass
- 116.20 g/mol
- Exact mass
- 116.1201 Da
- Density
- 0.82 g/mL
- Melting point
- 62–63 °C
- Boiling point
- 143 °C
- logP
- 1.95Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
625-23-0SMILES
CCCCC(C)(C)OInChIKey
KRIMXCDMVRMCTC-UHFFFAOYSA-NInChI
InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 2-Methyl-2-hexanol
- 2-Hexanol, 2-methyl-
- Butyldimethylcarbinol
- 2-Methyl-2-hydroxyhexane
- 1,1-Dimethyl-1-pentanol
- NSC 21977
Work with 2-Methylhexan-2-ol
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-Methylpentan-2-ol590-36-374 % similar
2,5-Dimethyl-2,5-hexanediol110-03-261 % similar
5-Methyl-5-nonanol33933-78-759 % similar
2-Methyldecane-2,5-diol53731-34-357 % similar
2,2-Dimethylhexane590-73-852 % similar
3-Methyl-3-heptanol5582-82-152 % similar
Isopentyldiol2568-33-450 % similar
2,6-Dimethyl-2-heptanol13254-34-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds