1,3-Dimethylcycloheptane
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Basic information
- CAS
13151-53-6- Standard SMILES
CC1CCCCC(C)C1- InChIKey
PTWXFJWKUMXFLI-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 1,3-Dimethylcycloheptane
- IUPAC
- 1,3-dimethylcycloheptane
- English name
- cis-1,3-Dimethylcycloheptane
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
1,3-dimethylcycloheptaneDTXSID30927231RefChem:1052888DTXCID701356027cis-1,3-Dimethylcycloheptane13151-53-6SCHEMBL3694414SCHEMBL6587699SCHEMBL6587704SCHEMBL10584647SCHEMBL10772019SCHEMBL10772800
Database identifiers
- CAS
13151-53-6- PubChem CID
- 139397
- DTXSID
DTXSID30927231
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 66.1
Physicochemical properties
- Boiling point
- 152.56 · 152.560±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.769 · 0.769±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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