Basic information
- CAS
3853-27-8- Standard SMILES
CC1=CCC(C)=C1C- InChIKey
WFZFDWAAGYEXOS-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Overview
1,2,3-trimethylcyclopentadiene has been reported in Echinophora tenuifolia with data available.
Names & identifiers
- Preferred name
- 1,2,3-Trimethylcyclopentadiene
- IUPAC
- 1,2,3-trimethylcyclopenta-1,3-diene
- English name
- 1,2,3-Trimethylcyclopentadiene
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
1,2,3-Trimethylcyclopentadiene3853-27-8DTXSID10191857RefChem:71436DTXCID501143481,2,3-trimethylcyclopenta-1,3-diene1,3-Cyclopentadiene, trimethyl-trimethylcyclopentadieneSCHEMBL217271SCHEMBL444185SCHEMBL1054482SCHEMBL5085674
Show more names
1,3-Cyclopentadiene, 1,2,3-trimethyl-
SCHEMBL27381944WFZFDWAAGYEXOS-UHFFFAOYSA-N
Database identifiers
- CAS
3853-27-8- PubChem CID
- 138063
- DTXSID
DTXSID10191857- Nikkaji
- J798.391C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 159
Related reactions
2 records
Compound notes
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