Bicyclo[4.1.0]heptane, 2-methyl-
Basic information
- CAS
41977-46-2- Standard SMILES
CC1CCCC2CC12- InChIKey
LGSGIWBAKCYGBB-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- Bicyclo[4.1.0]heptane, 2-methyl-
- IUPAC
- 2-methylbicyclo[4.1.0]heptane
- English name
- 2-Methylbicyclo[4.1.0]heptane
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
Bicyclo[4.1.0]heptane, 2-methyl-41977-46-22-Methylbicyclo[4.1.0]heptaneSCHEMBL6560378SCHEMBL6590050SCHEMBL6590053LGSGIWBAKCYGBB-UHFFFAOYSA-NDTXSID4013666792-Methylbicyclo[4.1.0]heptane #
Database identifiers
- CAS
41977-46-2- PubChem CID
- 549097
- DTXSID
DTXSID401366679- Nikkaji
- J99.881H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96.2
Physicochemical properties
- Boiling point
- 129.3 · 129.3±7.0 °C(Predicted)
- Density
- 0.88 · 0.880±0.06 g/cm3(Predicted)
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Compound notes
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