chempirical

1,2-Dimethylcyclopentane

C7H14CAS 2452-99-598.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C7H14
Molar mass
98.19 g/mol
Exact mass
98.1096 Da
Density
0.7629 g/mL (at 20 °C)
Melting point
−119.1 °C
Boiling point
92–96 °C (at 758 Torr)
logP
2.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2452-99-5
SMILES
CC1CCCC1C
InChIKey
RIRARCHMRDHZAR-UHFFFAOYSA-N
InChI
InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3

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Names and synonyms

1 names
  • Cyclopentane, 1,2-dimethyl-

Work with 1,2-Dimethylcyclopentane

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

cis-1,2-Dimethylcyclohexane2207-01-483 % similar 1,2-Dimethylcyclohexane583-57-383 % similar trans-1,2-Dimethylcyclohexane6876-23-983 % similar 2,6-Dimethylcyclohexanol5337-72-459 % similar 2-Methylcyclohexanol583-59-547 % similar 2-Methylcyclohexylamine7003-32-947 % similar cis-2-Methylcyclohexanol7443-70-147 % similar 1,2,4-Trimethylcyclohexane2234-75-542 % similar

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

Same formula

Methylcyclohexane-D1410120-28-2 Methylcyclohexane108-87-2 trans-3-Heptene14686-14-7 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 Cycloheptane291-64-5 2,3-Dimethyl-1-pentene3404-72-6 5-Methyl-1-hexene3524-73-0

Elsewhere

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