4,4-Dimethyloctane

C₁₀H₂₂CAS 15869-95-1142.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₂
Molar mass: 142.29 g/mol
Exact mass: 142.1722 Da
logP: 4.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

15869-95-1

SMILES

CCCCC(C)(C)CCC

InChIKey

ZMEDGZAGMLTROM-UHFFFAOYSA-N

InChI

InChI=1S/C10H22/c1-5-7-9-10(3,4)8-6-2/h5-9H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

Octane, 4,4-dimethyl-

Work with 4,4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4-Dimethyl heptane1068-19-576 % similar 3,3-Dimethylheptane4032-86-467 % similar 1,1-Dimethylcyclohexane590-66-953 % similar 2,2-Dimethylhexane590-73-852 % similar 2-Methylhexan-2-ol625-23-048 % similar 5-Methyl-5-nonanol33933-78-746 % similar 2,2-Dimethylpentane590-35-243 % similar 4-Methyl-4-nonanol23418-38-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,7-Dimethyloctane1072-16-8 Decane124-18-5 (±)-4-Methylnonane17301-94-9 2,6-Dimethyloctane2051-30-1 3,3-Dimethyloctane4110-44-5 2-Methylnonane871-83-0

Elsewhere

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