Basic information
- CAS
96-38-8- Standard SMILES
CC1C=CC=C1- InChIKey
QVRBGKYLLCLCHL-UHFFFAOYSA-N- Molecular formula
- C6H8
- Average molar mass
- 80.13 g/mol
- Monoisotopic mass
- 80.06260026
Overview
5-methyl-1,3-Cyclopentadiene is a cyclic olefin.
Names & identifiers
- Preferred name
- 5-Methylcyclopentadiene
- IUPAC
- 5-methylcyclopenta-1,3-diene
- English name
- Methylcyclopentadiene
- Molecular formula
- C6H8
- Molecular weight
- 80.13
Names & synonyms
5-methylcyclopenta-1,3-diene5-Methyl-1,3-cyclopentadiene5-Methylcyclopentadiene1,3-Cyclopentadiene, 5-methyl-X1DWO24VEAUNII-X1DWO24VEADTXSID7048035CYCLOPENTADIENE, 5-METHYL-RefChem:103182DTXCID3028009QVRBGKYLLCLCHL-UHFFFAOYSA-N96-38-8
Show more names
1-Methyl-2,4-cyclopentadiene5α-Methyl-1,3-cyclopentadiene
SCHEMBL312784SCHEMBL336846SCHEMBL1004054SCHEMBL27312775SCHEMBL28073405CHEBI:229345Q22077211
Database identifiers
- CAS
96-38-8- PubChem CID
- 25512
- DTXSID
DTXSID7048035- ChEBI
CHEBI:229345- UNII
- X1DWO24VEA
- Nikkaji
- J22.892C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 76.2
Physicochemical properties
- FDA UNII
- 1 DWO24VEA · X1DWO24VEA
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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