Basic information
- CAS
16747-32-3- Standard SMILES
CCC(CC)C(C)(C)C- InChIKey
CLZCPQKGOAXOJT-UHFFFAOYSA-N- Molecular formula
- C9H20
- Average molar mass
- 128.25 g/mol
- Monoisotopic mass
- 128.15650064
Names & identifiers
- Preferred name
- 3-Ethyl-2,2-dimethylpentane
- IUPAC
- 3-ethyl-2,2-dimethylpentane
- English name
- 2,2-Dimethyl-3-ethylpentane
- Molecular formula
- C9H20
- Molecular weight
- 0
Names & synonyms
3-Ethyl-2,2-dimethylpentane16747-32-32,2-DIMETHYL-3-ETHYLPENTANEEINECS 240-811-9DTXSID00168290RefChem:93811DTXCID7090781240-811-9CLZCPQKGOAXOJT-UHFFFAOYSA-NInChI=1/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5HPentane, 3-ethyl-2,2-dimethyl-SCHEMBL82775
Show more names
SCHEMBL82776SCHEMBL3969443-Ethyl-2,2-dimethyl-pentanSCHEMBL4621345SCHEMBL4654340SCHEMBL10931141SCHEMBL11232965LMFA11000699
Database identifiers
- CAS
16747-32-3- PubChem CID
- 28026
- DTXSID
DTXSID00168290- EC Number
- 240-811-9
- Nikkaji
- J132.828J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 62.6
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -99.3 °C · -99.3 °C
- Boiling point
- 133.8 °C · 133.8 °C
- Density
- 0.722 · 0.722±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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