Basic information
- CAS
162239-52-3- Standard SMILES
CC1CCCC2(C)OC12- InChIKey
JECOGJBQQYXLLN-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 1,5-Dimethyl-7-oxabicyclo(4.1.0)heptane
- IUPAC
- 1,5-dimethyl-7-oxabicyclo[4.1.0]heptane
- English name
- 7-Oxabicyclo[4.1.0]heptane, 1,5-dimethyl-
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane162239-52-3DTXSID408732551,5-Dimethyl-7-oxabicyclo(4.1.0)heptaneRefChem:1053453DTXCID008207607-Oxabicyclo[4.1.0]heptane, 1,5-dimethyl-7-Oxabicyclo[4.1.0]heptane, 1,5-dimethyl-SCHEMBL5675298JECOGJBQQYXLLN-UHFFFAOYSA-N1,5-Dimethyl-7-oxabicyclo[4.1.0]heptane #
Database identifiers
- CAS
162239-52-3- PubChem CID
- 537752
- DTXSID
DTXSID40873255
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 152.5 °C · 152.5 °C
- Density
- 0.905 g/cm3 · 0.905 g/cm3(Temp: 25 °C)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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