2,7-Dimethyloctane

C₁₀H₂₂CAS 1072-16-8142.29 g/mol

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Properties

Molecular formula: C₁₀H₂₂
Molar mass: 142.29 g/mol
Exact mass: 142.1722 Da
Density: 0.7283 g/mL (at 20 °C)
Melting point: −54.9 °C
Boiling point: 159.9 °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
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1072-16-8

SMILES

CC(C)CCCCC(C)C

InChIKey

KEVMYFLMMDUPJE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Octane, 2,7-dimethyl-
Diisoamyl
Diisopentyl
NSC 6232

Work with 2,7-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

Squalane111-01-369 % similar 2-Methylheptane592-27-869 % similar 2,5-Dimethylhexane592-13-267 % similar Isododecane31807-55-365 % similar 2-Methyloctane3221-61-265 % similar 1-Bromo-5-methylhexane35354-37-165 % similar 2-Methyldecane6975-98-065 % similar 2-Methylundecane7045-71-865 % similar

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

Same formula

Decane124-18-5 4,4-Dimethyloctane15869-95-1 (±)-4-Methylnonane17301-94-9 2,6-Dimethyloctane2051-30-1 3,3-Dimethyloctane4110-44-5 2-Methylnonane871-83-0

Elsewhere

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