chempirical

Dihydrolinalool

C10H20OCAS 18479-51-1156.27 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Density
0.8573 g/mL (at 25 °C)
Boiling point
87 °C (at 12 Torr)
logP
2.89Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
18479-51-1
SMILES
CCC(C)(O)CCC=C(C)C
InChIKey
JRTBBCBDKSRRCY-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 6-Octen-3-ol, 3,7-dimethyl-
  • 3,7-Dimethyl-6-octen-3-ol
  • 3,7-Dimethyl-6-octene-3-ol
  • 2,6-Dimethyl-2-octen-6-ol
  • 1,2-Dihydrolinalool
  • (±)-Dihydrolinalool

Work with Dihydrolinalool

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-3-pentanol77-74-748 % similar (-)-Linalool126-91-047 % similar 3,7-Dimethyl-1,6-octadien-3-ol78-70-647 % similar 3-Methyl-3-octanol5340-36-345 % similar 3-Methyl-3-nonanol21078-72-844 % similar Tetrahydrolinalool78-69-342 % similar α-Ethyl-α-methylbenzenepropanol10415-87-941 % similar Geranyllinalool1113-21-940 % similar

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

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook