4,4-Dimethyl heptane

C₉H₂₀CAS 1068-19-5128.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₂₀
Molar mass: 128.26 g/mol
Exact mass: 128.1565 Da
logP: 3.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

1068-19-5

SMILES

CCCC(C)(C)CCC

InChIKey

WSOKFYJGNBQDPW-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4,4-Dimethylheptane

Work with 4,4-Dimethyl heptane

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

2,2-Dimethylpentane590-35-253 % similar 1,1-Dimethylcyclohexane590-66-947 % similar 2-Methyl-2-pentanol590-36-345 % similar 2-Methyl-2-propyl-1,3-propanediol78-26-243 % similar 3,3-Dimethylpentane562-49-241 % similar 2,2-Dimethylhexane590-73-840 % similar 4,7-Dimethyl-5-decyn-4,7-diol126-87-439 % similar Trimethyl orthobutyrate43083-12-138 % similar

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

Same formula

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 3,3-Dimethylheptane4032-86-4

Elsewhere

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