Basic information
- CAS
32273-77-1- Standard SMILES
CC1CCC2CCCC12- InChIKey
XWDLMQDCTIPQFS-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- Octahydro-1-methylpentalene
- IUPAC
- 1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
- English name
- Octahydro-1-methylpentalene
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
OCTAHYDRO-1-METHYLPENTALENE32273-77-1Pentalene, octahydro-1-methyl-1-Methyloctahydropentalene1-Methyloctahydropentalene #SCHEMBL6592037SCHEMBL6592044SCHEMBL9256198DTXSID00858806XWDLMQDCTIPQFS-UHFFFAOYSA-Nexo-2-methylbicyclo[3.3.0]octane30498-51-2
Database identifiers
- CAS
32273-77-1- PubChem CID
- 36099
- DTXSID
DTXSID00858806- Nikkaji
- J101.125A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 156 · 156.0±7.0 °C(Predicted)
- Density
- 0.869 · 0.869±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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