4-Methyl-4-nonanol

C10H22OCAS 23418-38-4158.28 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
0.8245 g/mL (at 25 °C)
Boiling point
92–93 °C (at 15 Torr)
logP
3.12Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
6

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
23418-38-4
SMILES
CCCCCC(C)(O)CCC
InChIKey
GDCOAKPWVJCNGI-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O/c1-4-6-7-9-10(3,11)8-5-2/h11H,4-9H2,1-3H3

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

Names and synonyms

4 names
  • 4-Nonanol, 4-methyl-
  • 1-Methyl-1-propylhexanol
  • NSC 103159
  • 4-Methylnonan-4-ol

Work with 4-Methyl-4-nonanol

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

5-Methyl-5-nonanol33933-78-777 % similar 3-Methyl-3-octanol5340-36-372 % similar 1-Methylcyclopentanol1462-03-967 % similar 1-Methylcyclohexanol590-67-064 % similar 3-Methyl-3-heptanol5582-82-162 % similar 4-Methyl-1-octyn-4-ol22128-43-452 % similar 2-Methylhexan-2-ol625-23-046 % similar 3,3-Dimethyloctane4110-44-543 % 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 Decan-4-ol2051-31-2 3-Methyl-3-nonanol21078-72-8

Elsewhere

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