2,2,4,4,6-Pentamethylheptane

C₁₂H₂₆CAS 62199-62-6170.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₆
Molar mass: 170.34 g/mol
Exact mass: 170.2035 Da
Density: 0.7739 g/mL (at 20 °C)
Boiling point: 187–188 °C
logP: 4.49Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% 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, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

62199-62-6

SMILES

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

InChIKey

NOFQKTWPZFUCOO-UHFFFAOYSA-N

InChI

InChI=1S/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3

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Names and synonyms

1 names

Heptane, 2,2,4,4,6-pentamethyl-

Work with 2,2,4,4,6-Pentamethylheptane

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

(+-)-2,2,4,4,6,8,8-Heptamethylnonane4390-04-960 % similar 2,2,4-Trimethylpentane540-84-157 % similar 2,2,4,4-Tetramethylpentane1070-87-740 % similar 2,2,5-Trimethylhexane3522-94-940 % similar 2,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-334 % similar 2,2,4-Trimethylhexane16747-26-533 % similar 3,5-Dimethyl-3-hexanol4209-91-033 % similar 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane6731-36-832 % similar

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

Same formula

Dodecane112-40-3 2,2,4,6,6-Pentamethylheptane13475-82-6 Isododecane31807-55-3 2-Methylundecane7045-71-8

Elsewhere

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