chempirical

(+)-2-Heptanol

C7H16OCAS 6033-23-4116.20 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
0.835 g/mL (at 25 °C)
Boiling point
157–159.5 °C
logP
1.95Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
6033-23-4
SMILES
CCCCC[C@H](C)O
InChIKey
CETWDUZRCINIHU-ZETCQYMHSA-N
InChI
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 2-Heptanol, (2S)-
  • 2-Heptanol, (+)-
  • 2-Heptanol, (S)-
  • (2S)-2-Heptanol
  • d-Amylmethylcarbinol
  • d-2-Heptanol
  • d-2-Hydroxyheptane
  • (S)-2-Heptanol
  • (S)-(+)-2-Heptanol
  • (2S)-Heptan-2-ol

Work with (+)-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

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