Basic information
- CAS
287-13-8- Standard SMILES
C1CC2C3C(C1)C23- InChIKey
HTEFASNITGSEJD-UHFFFAOYSA-N- Molecular formula
- C7H10
- Average molar mass
- 94.15 g/mol
- Monoisotopic mass
- 94.07825032
Names & identifiers
- Preferred name
- Tricyclo(4.1.0.02,7)heptane
- IUPAC
- tricyclo[4.1.0.02,7]heptane
- English name
- 1,2,3-Methylidynecyclohexane
- Molecular formula
- C7H10
- Molecular weight
- 94.15
Names & synonyms
TRICYCLO(4.1.0.02,7)HEPTANETricyclo[4.1.0.02,7]heptane287-13-8DTXSID50182860RefChem:1100371DTXCID90105351Tricyclo[4.1.0.0(2,7)]heptaneTricyclo[3.1.1.0(6,7)]heptaneSCHEMBL15466838SCHEMBL21274126HTEFASNITGSEJD-UHFFFAOYSA-NTricyclo[4.1.0.0<2,7>]heptane
Show more names
1,6:5,7-Dicyclocycloheptane1,2,3-Methylidynecyclohexane
Tricyclo[4.1.0.0~2,7~]heptane
Database identifiers
- CAS
287-13-8- PubChem CID
- 9249
- DTXSID
DTXSID50182860- Nikkaji
- J114.376J
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
- 91.2
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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