2-Hexyl-1,1,4-trimethylcyclobutane
Basic information
- CAS
49622-19-7- Standard SMILES
CCCCCCC1CC(C)C1(C)C- InChIKey
QBXWLDWHEDTEAG-UHFFFAOYSA-N- Molecular formula
- C13H26
- Average molar mass
- 182.35 g/mol
- Monoisotopic mass
- 182.20345083
Names & identifiers
- Preferred name
- 2-Hexyl-1,1,4-trimethylcyclobutane
- IUPAC
- 2-hexyl-1,1,4-trimethylcyclobutane
- English name
- 2-Hexyl-1,1,4-trimethylcyclobutane
- Molecular formula
- C13H26
- Molecular weight
- 182.35
Names & synonyms
2-Hexyl-1,1,4-trimethylcyclobutane49622-19-7DTXSID70338741RefChem:261447DTXCID10289824Cyclobutane, 2-hexyl-1,1,4-trimethyl-SCHEMBL673896QBXWLDWHEDTEAG-UHFFFAOYSA-N2-Hexyl-1,1,4-trimethylcyclobutane #62338-53-8DB-314082Cyclobutane, 2-hexyl-1,1,4-trimethyl-, cis- (9CI)
Database identifiers
- CAS
49622-19-7- PubChem CID
- 550889
- DTXSID
DTXSID70338741- Nikkaji
- J123.954F
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 217.837 · 217.837±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.783 · 0.783±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
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Compound notes
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