Basic information
- CAS
2398-09-6- Standard SMILES
CC1CC(C)C1- InChIKey
WKHRDGKOKYBNDZ-UHFFFAOYSA-N- Molecular formula
- C6H12
- Average molar mass
- 84.16 g/mol
- Monoisotopic mass
- 84.09390038
Names & identifiers
- Preferred name
- 1,3-Dimethylcyclobutane
- IUPAC
- 1,3-dimethylcyclobutane
- English name
- Cyclobutane, 1,3-dimethyl-, cis-
- Molecular formula
- C6H12
- Molecular weight
- 84.16
Names & synonyms
1,3-dimethylcyclobutane7411-24-7RefChem:218780Cyclobutane, 1,3-dimethyl-, cis-2398-09-6Cyclobutane, 1,3-dimethylcis-1,3-DimethylcyclobutaneSCHEMBL282936SCHEMBL282937SCHEMBL283273SCHEMBL342094trans-1,3-Dimethylcyclobutane
Show more names
SCHEMBL2033197SCHEMBL11315705SCHEMBL23420992DTXSID101350376DTXSID301313491DTXSID6013503712398-10-9
Database identifiers
- CAS
2398-09-6、2398-10-9、7411-24-7- PubChem CID
- 448071
- DTXSID
DTXSID301313491- Nikkaji
- J1.362.373B、J609.714F、J609.716B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32
Physicochemical properties
- Melting point
- -132.62 °C · -132.62°C (estimate)
- Boiling point
- 60.55 °C · 60.55°C
- Density
- 0.706 · 0.7060
- refractive index
- 1.3908 · 1.3908
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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