chempirical

6-Methyl-2-heptanol

C8H18OCAS 4730-22-7130.23 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C8H18O
Molar mass
130.23 g/mol
Exact mass
130.1358 Da
Density
0.8128 g/mL (at 20 °C)
Melting point
−105 °C
Boiling point
174 °C
logP
2.19Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
4730-22-7
SMILES
CC(C)CCCC(C)O
InChIKey
FCOUHTHQYOMLJT-UHFFFAOYSA-N
InChI
InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Heptanol, 6-methyl-
  • 2-Methylheptan-6-ol
  • 1,5-Dimethyl-1-hexanol
  • 2-Hydroxy-6-methylheptane
  • (±)-6-Methyl-2-heptanol
  • NSC 75858

Work with 6-Methyl-2-heptanol

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

5-Methyl-2-hexanol627-59-870 % similar 2,5-Hexanediol2935-44-658 % similar 2-Hexanol626-93-757 % similar (+)-2-Heptanol6033-23-454 % similar 2,7-Dimethyloctane1072-16-853 % similar (±)-2-Dodecanol10203-28-852 % similar (±)-2-Decanol1120-06-552 % similar (±)-2-Undecanol1653-30-152 % 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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