chempirical

2-Methyl-2-hexanol

C7H16OCAS 625-23-0116.20 g/mol

Open in Covalent MOL file
OH
Alcohol

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

Identifiers

CAS number
625-23-0
SMILES
CCCCC(C)(C)O
InChIKey
KRIMXCDMVRMCTC-UHFFFAOYSA-N
InChI
InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • 2-Hexanol, 2-methyl-
  • Butyldimethylcarbinol
  • 2-Methyl-2-hydroxyhexane
  • 1,1-Dimethyl-1-pentanol
  • NSC 21977

Work with 2-Methyl-2-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-Methyl-2-pentanol590-36-374 % similar 2,5-Dimethyl-2,5-hexanediol110-03-261 % similar 5-Methyl-5-nonanol33933-78-759 % similar 2,2-Dimethylhexane590-73-852 % similar 3-Methyl-1,3-butanediol2568-33-450 % similar 2,6-Dimethyl-2-heptanol13254-34-748 % similar tert-Amyl alcohol75-85-448 % similar 4-Methyl-4-nonanol23418-38-446 % similar

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

Same formula

1-Heptanol111-70-6 2,2-Dimethyl-3-pentanol3970-62-5 Hexyl methyl ether4747-07-3 2-Heptanol543-49-7 4-Heptanol589-55-9 3-Heptanol589-82-2 3-Ethyl-3-pentanol597-49-9 2,4-Dimethyl-3-pentanol600-36-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook