2,6-Dimethyloctane

C₁₀H₂₂CAS 2051-30-1142.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂
Molar mass: 142.29 g/mol
Exact mass: 142.1722 Da
Density: 0.741 g/mL (at 0 °C)
Boiling point: 160.4 °C
logP: 3.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

2051-30-1

SMILES

CCC(C)CCCC(C)C

InChIKey

ZALHPSXXQIPKTQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3

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

Names and synonyms

3 names

Octane, 2,6-dimethyl-
Myrcane
NSC 91459

Work with 2,6-Dimethyloctane

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

2,5-Dimethylheptane2216-30-071 % similar Pristane1921-70-670 % similar Squalane111-01-367 % similar 3-Methylheptane589-81-161 % similar 3-Methyloctane2216-33-358 % similar 3,7-Dimethyl-1-octanol106-21-854 % similar 3-Methylhexane589-34-452 % similar (±)-2,4-Dimethylhexane589-43-552 % similar

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

Same formula

2,7-Dimethyloctane1072-16-8 Decane124-18-5 4,4-Dimethyloctane15869-95-1 (±)-4-Methylnonane17301-94-9 3,3-Dimethyloctane4110-44-5 2-Methylnonane871-83-0

Elsewhere

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