chempirical

3,7-Dimethyl-1,7-octanediol

C10H22O2CAS 107-74-4174.28 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C10H22O2
Molar mass
174.28 g/mol
Exact mass
174.1620 Da
Density
0.935 g/mL (at 20 °C)
Boiling point
265 °C
logP
1.95Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Identifiers

CAS number
107-74-4
SMILES
CC(CCO)CCCC(C)(C)O
InChIKey
FPCCDPXRNNVUOM-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • 1,7-Octanediol, 3,7-dimethyl-
  • Hydroxycitronellol
  • Citronellol, hydroxy-
  • 2,6-Dimethyl-2,8-octanediol
  • 3,7-Dimethyloctan-1,7-diol
  • NSC 406140
  • NSC 67886
  • Hydroxyciol

Work with 3,7-Dimethyl-1,7-octanediol

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

Hydroxycitronellal107-75-556 % similar 2,6-Dimethyl-2-heptanol13254-34-755 % similar 3,7-Dimethyl-1-octanol106-21-853 % similar 3-Methyl-1,3-butanediol2568-33-452 % similar 3,5,5-Trimethyl-1-hexanol3452-97-948 % similar 2,5-Dimethyl-2-hexanol3730-60-747 % similar 2,6-Dimethyl-7-octen-2-ol18479-58-846 % similar Heptaminol hydrochloride543-15-746 % similar

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

Same formula

1,1-Dimethoxyoctane10022-28-3 1,2-Decanediol1119-86-4 1,10-Decanediol112-47-0 Glycol dibutyl ether112-48-1 1,1-Diethoxyhexane3658-93-3

Elsewhere

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