3,3-Dimethylheptane

C₉H₂₀CAS 4032-86-4128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
Density: 0.7304 g/mL (at 20 °C)
Boiling point: 137.3 °C
logP: 3.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

4032-86-4

SMILES

CCCCC(C)(C)CC

InChIKey

BVAKDOXCVSMKHE-UHFFFAOYSA-N

InChI

InChI=1S/C9H20/c1-5-7-8-9(3,4)6-2/h5-8H2,1-4H3

Weigh it out

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

Names and synonyms

1 names

Heptane, 3,3-dimethyl-

Work with 3,3-Dimethylheptane

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

3,3-Dimethylpentane562-49-253 % similar 2,2-Dimethylhexane590-73-850 % similar 2-Methyl-2-hexanol625-23-046 % similar 2-Butyl-2-ethyl-1,3-propanediol115-84-444 % similar 5-Methyl-5-nonanol33933-78-744 % similar 3-Methyl-3-octanol5340-36-343 % similar 1,1-Dimethylcyclohexane590-66-943 % similar 3-Methyl-3-nonanol21078-72-841 % similar

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

Same formula

4,4-Dimethyl heptane1068-19-5 2,2,4,4-Tetramethylpentane1070-87-7 Nonane111-84-2 2,2,4-Trimethylhexane16747-26-5 (±)-2,4-Dimethylheptane2213-23-2 3-Methyloctane2216-33-3 2-Methyloctane3221-61-2 2,2,5-Trimethylhexane3522-94-9

Elsewhere

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