Basic information
- CAS
16782-44-8- Standard SMILES
C1C2CC2C2CC12- InChIKey
XIIJQOYMVIJNEP-UHFFFAOYSA-N- Molecular formula
- C7H10
- Average molar mass
- 94.15 g/mol
- Monoisotopic mass
- 94.07825032
Names & identifiers
- Preferred name
- Tricyclo(4.1.0.02,4)-heptane
- IUPAC
- tricyclo[4.1.0.02,4]heptane
- English name
- Tricyclo[4.1.0.02,4]heptane
- Molecular formula
- C7H10
- Molecular weight
- 94.15
Names & synonyms
187-26-8Tricyclo(4.1.0.02,4)-heptaneTricyclo[4.1.0.02,4]-heptaneDTXSID001031096RefChem:1100370DTXCID301365959tricyclo[4.1.0.02,4]heptaneanti-Tricyclo(4.1.0.0(2,4))heptaneAnti-tricyclo[4.1.0.0(2,4)]heptane16782-44-8SCHEMBL1086218tricyclo[4,1,0,02,4] heptane
Database identifiers
- CAS
16782-44-8、187-26-8- PubChem CID
- 9102
- DTXSID
DTXSID001031096- Nikkaji
- J381.344D
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
- 7
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 110.68 °C · 110.68°C (rough estimate)
- Density
- 0.8 · 0.8000 (estimate)
- refractive index
- 1.477 · 1.4770 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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