2,6,8-Trimethyl-4-nonanol

C₁₂H₂₆OCAS 123-17-1186.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₆O
Molar mass: 186.34 g/mol
Exact mass: 186.1984 Da
Boiling point: 225 °C
logP: 3.47Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 6

Hazards

H411 Toxic to aquatic life with long lasting effects37.6% of notifiers

Aggregated from 194 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

123-17-1

SMILES

CC(C)CC(C)CC(O)CC(C)C

InChIKey

LFEHSRSSAGQWNI-UHFFFAOYSA-N

InChI

InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3

Weigh it out

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

Names and synonyms

2 names

4-Nonanol, 2,6,8-trimethyl-
NSC 60574

Work with 2,6,8-Trimethyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethyl-4-heptanol108-82-774 % similar 3,5-Dimethylcyclohexanol5441-52-170 % similar 5-Methyl-3-heptanol18720-65-546 % similar 3-Methylcyclohexanol591-23-146 % similar (±)-2,4-Dimethylhexane589-43-546 % similar (±)-2,4-Dimethylheptane2213-23-242 % similar 4-Methyl-2-pentanol108-11-242 % similar (2R)-4-Methylpentan-2-ol16404-54-942 % similar

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

Same formula

(±)-2-Dodecanol10203-28-8 Dodecanol112-53-8 Dihexyl ether112-58-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook