2,2-Dimethylpentane

C₇H₁₆CAS 590-35-2100.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₆
Molar mass: 100.20 g/mol
Exact mass: 100.1252 Da
Density: 0.6738 g/mL (at 20 °C)
Melting point: −123.8 °C
Boiling point: 79.2 °C
logP: 2.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

590-35-2

SMILES

CCCC(C)(C)C

InChIKey

CXOWYJMDMMMMJO-UHFFFAOYSA-N

InChI

InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

Pentane, 2,2-dimethyl-

Work with 2,2-Dimethylpentane

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-Dimethylhexane590-73-865 % similar 4,4-Dimethyl heptane1068-19-553 % similar 2-Methyl-2-pentanol590-36-345 % similar 2-Methyl-2-propyl-1,3-propanediol78-26-243 % similar 1-Chloro-3,3-dimethylbutane2855-08-542 % similar 3,3-Dimethyl-1-butanol624-95-342 % similar 2,2-Dimethylbutane75-83-241 % similar 4,7-Dimethyl-5-decyn-4,7-diol126-87-439 % similar

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

Same formula

2,4-Dimethylpentane108-08-7 Heptane142-82-5 Triptane464-06-2 3,3-Dimethylpentane562-49-2 2,3-Dimethylpentane565-59-3 3-Methylhexane589-34-4 2-Methylhexane591-76-4

Elsewhere

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