3-Methyl-3-nonanol

C₁₀H₂₂OCAS 21078-72-8158.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂O
Molar mass: 158.28 g/mol
Exact mass: 158.1671 Da
Boiling point: 75–76 °C (at 5 Torr)
logP: 3.12Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

21078-72-8

SMILES

CCCCCCC(C)(O)CC

InChIKey

VZBFPIMCUSPDLS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

3-Nonanol, 3-methyl-
2-Ethyl-2-octanol
Ethylhexylmethylcarbinol
3-Methylnonan-3-ol
(±)-3-Methyl-3-nonanol

Work with 3-Methyl-3-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

3-Methyl-3-octanol5340-36-396 % similar 3-Methyl-3-heptanol5582-82-183 % similar 5-Methyl-5-nonanol33933-78-764 % similar 1-Methylcyclohexanol590-67-058 % similar Tetrahydrolinalool78-69-355 % similar 1-Methylcyclopentanol1462-03-954 % similar 3-Methyl-3-pentanol77-74-754 % similar 3,3-Dimethyloctane4110-44-550 % 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 4-Methyl-4-nonanol23418-38-4

Elsewhere

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