1-Methyl-1,3-cyclopentadiene

C₆H₈CAS 26519-91-580.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈
Molar mass: 80.13 g/mol
Exact mass: 80.0626 Da
Density: 0.804 g/mL (at 20 °C)
Melting point: 72 °C
Boiling point: 70–73 °C
logP: 1.89Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

26519-91-5

SMILES

CC1=CC=CC1

InChIKey

NFWSQSCIDYBUOU-UHFFFAOYSA-N

InChI

InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

5 names

Methylcyclopentadiene
1,3-Cyclopentadiene, methyl-
Cyclopentadiene, methyl-
Methyl-1,3-cyclopentadiene
Monomethylcyclopentadiene

Work with 1-Methyl-1,3-cyclopentadiene

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

1-Methyl-1,4-cyclohexadiene4313-57-943 % similar 1-Methylcyclopropene3100-04-740 % similar 2-Methylindene2177-47-130 % similar

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

Same formula

1,3,5-Hexatriene2235-12-3 Cyclopropylidene cyclopropane27567-82-4 Cyclohexa-1,3-diene592-57-4 Cyclohexa-1,4-diene628-41-1

Elsewhere

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