chempirical

3-Methyl-3-octanol

C9H20OCAS 5340-36-3144.26 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H20O
Molar mass
144.26 g/mol
Exact mass
144.1514 Da
Density
0.8108 g/mL (at 25 °C)
Boiling point
97.5 °C (at 50 Torr)
logP
2.73Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5340-36-3
SMILES
CCCCCC(C)(O)CC
InChIKey
JEWXYDDSLPIBBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3

Weigh it out

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Names and synonyms

3 names
  • 3-Octanol, 3-methyl-
  • Amylethylmethylcarbinol
  • NSC 903

Work with 3-Methyl-3-octanol

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-nonanol21078-72-896 % similar 3-Methyl-3-heptanol5582-82-187 % similar 4-Methyl-4-nonanol23418-38-472 % similar 5-Methyl-5-nonanol33933-78-767 % similar Tetrahydrolinalool78-69-357 % similar 1-Methylcyclopentanol1462-03-957 % similar 3-Methyl-3-pentanol77-74-757 % similar 1-Methylcyclohexanol590-67-054 % similar

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

Same formula

2,6-Dimethyl-4-heptanol108-82-7 2,6-Dimethyl-2-heptanol13254-34-7 1-Nonanol143-08-8 3,6-Dimethyl-3-heptanol1573-28-0 2,4-Dimethyl-3-heptanol19549-72-5 3,5,5-Trimethyl-1-hexanol3452-97-9 4-Nonanol5932-79-6 Nonan-5-ol623-93-8

Elsewhere

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