Basic information
- CAS
21898-95-3- Standard SMILES
COC12CC3CCC(CC(C3)C1)C2- InChIKey
PYIFYZYKFJFRER-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- Tricyclo[4.3.1.1(3,8)]undecane, 1-methoxy-
- IUPAC
- 1-methoxytricyclo[4.3.1.13,8]undecane
- English name
- 1-Methoxytricyclo[4.3.1.13,8]undecane
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
Tricyclo[4.3.1.1(3,8)]undecane, 1-methoxy-21898-95-3DTXSID80341463PYIFYZYKFJFRER-UHFFFAOYSA-N1-Methoxytricyclo[4.3.1.1~3,8~]undecane1-Methoxytricyclo[4.3.1.13,8]undecaneTricyclo[4.3.1.13,8]undecane, 1-methoxy-
Database identifiers
- CAS
21898-95-3- PubChem CID
- 573267
- DTXSID
DTXSID80341463
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 233.5 · 233.5±8.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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