5-Methyl-5-nonanol

C₁₀H₂₂OCAS 33933-78-7158.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂O
Molar mass: 158.28 g/mol
Exact mass: 158.1671 Da
Density: 0.8253 g/mL (at 25 °C)
Boiling point: 91.4–92.4 °C (at 15 Torr)
logP: 3.12Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Identifiers

CAS number

33933-78-7

SMILES

CCCCC(C)(O)CCCC

InChIKey

AGSIGVZAVLOKLP-UHFFFAOYSA-N

InChI

InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

5-Nonanol, 5-methyl-
2-Butyl-2-hexanol

Work with 5-Methyl-5-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

4-Methyl-4-nonanol23418-38-477 % similar 1-Methylcyclopentanol1462-03-968 % similar 3-Methyl-3-octanol5340-36-367 % similar 4-Methyl-1-octyn-4-ol22128-43-463 % similar 2-Methyl-2-hexanol625-23-059 % similar 2,2-Dimethylhexane590-73-850 % similar 3-Methyl-3-pentanol77-74-745 % similar 3,3-Dimethylheptane4032-86-444 % 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

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