1,1,3,4-Tetramethylcyclopentane
Basic information
- CAS
20309-77-7- Standard SMILES
CC1CC(C)(C)CC1C- InChIKey
OWHFMVURUNNXMJ-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 1,1,3,4-Tetramethylcyclopentane
- IUPAC
- 1,1,3,4-tetramethylcyclopentane
- English name
- TRANS-1,1,3,4-TETRAMETHYLCYCLOPENTANE
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
1,1,3,4-Tetramethylcyclopentane74563-63-6SCHEMBL10581413SCHEMBL15136162DTXSID20942453TRANS-1,1,3,4-TETRAMETHYLCYCLOPENTANEcyclopentane,1,1,3,4-tetramethyl-,trans-Cyclopentane, 1,1,3,4-tetramethyl-, (3R,4R)-rel-
Database identifiers
- CAS
20309-77-7、53907-60-1- PubChem CID
- 140671
- DTXSID
DTXSID20942453- Nikkaji
- J1.557.007E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Physicochemical properties
- Melting point
- -106.4 °C · -106.4°C
- Boiling point
- 149.42 °C · 149.42°C (estimate)
- Density
- 0.763 · 0.7630
- refractive index
- 1.4179 · 1.4179
- Henry's Law Constant
- 9.9 · 9.9×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
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Compound notes
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