chempirical

Tetrahydrolinalool

C10H22OCAS 78-69-3158.28 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C10H22O
Molar mass
158.28 g/mol
Exact mass
158.1671 Da
Density
0.8341 g/mL (at 15 °C)
Boiling point
88.5–89 °C (at 14 Torr)
logP
2.97Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
78-69-3
SMILES
CCC(C)(O)CCCC(C)C
InChIKey
DLHQZZUEERVIGQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 3-Octanol, 3,7-dimethyl-
  • 3,7-Dimethyl-3-octanol
  • 2,6-Dimethyl-6-octanol
  • 3,7-Dimethyloctan-3-ol
  • Linalool tetrahydride
  • NSC 128151

Work with Tetrahydrolinalool

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

3,5-Dimethyl-3-hexanol4209-91-059 % similar 3-Methyl-3-octanol5340-36-357 % similar 2,6-Dimethyl-2-heptanol13254-34-755 % similar 3-Methyl-3-pentanol77-74-750 % similar 1-Methylcyclopentanol1462-03-944 % similar 5-Methyl-5-nonanol33933-78-743 % similar 2,5-Dimethyl-2-hexanol3730-60-742 % similar α-Ethyl-α-methylbenzenepropanol10415-87-942 % similar

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

Same formula

2-Propylheptanol10042-59-8 3,7-Dimethyl-1-octanol106-21-8 (±)-2-Decanol1120-06-5 1-Decanol112-30-1 4-Methyl-5-nonanol154170-44-2 3-Decanol1565-81-7 4-Decanol2051-31-2 3-Methyl-3-nonanol21078-72-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook