2-Ethyl-1,1-dimethylcyclopentane
Basic information
- CAS
54549-80-3- Standard SMILES
CCC1CCCC1(C)C- InChIKey
RXPIHZJWAFCHEJ-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 2-Ethyl-1,1-dimethylcyclopentane
- IUPAC
- 2-ethyl-1,1-dimethylcyclopentane
- English name
- 2-Ethyl-1,1-dimethylcyclopentane
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
2-ETHYL-1,1-DIMETHYLCYCLOPENTANE54549-80-3DTXSID20969781RefChem:471701DTXCID501397330Cyclopentane, 2-ethyl-1,1-dimethyl-SCHEMBL258064SCHEMBL4578585SCHEMBL4580550SCHEMBL4580555RXPIHZJWAFCHEJ-UHFFFAOYSA-N1-dimethyl-2-ethyl-1-cyclopentane
Show more names
2-Ethyl-1,1-dimethylcyclopentane #DB-313984
Database identifiers
- CAS
54549-80-3- PubChem CID
- 41123
- DTXSID
DTXSID20969781- Nikkaji
- J108.779G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.2
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -104.63 °C · -104.63°C (estimate)
- Boiling point
- 149.42 °C · 149.42°C (estimate)
- Density
- 0.784 · 0.7840
- refractive index
- 1.43 · 1.4300
- Henry's Law Constant
- 7.7 · 7.7×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Methylcyclopentane.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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