(1-Ethyl-2-methylbutyl)benzene
Basic information
- CAS
79101-72-7- Standard SMILES
CCC(C)C(CC)c1ccccc1- InChIKey
HWVMEJVNJSZGDZ-UHFFFAOYSA-N- Molecular formula
- C13H20
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.15650064
Names & identifiers
- Preferred name
- (1-Ethyl-2-methylbutyl)benzene
- IUPAC
- 4-methylhexan-3-ylbenzene
Names & synonyms
(1-Ethyl-2-methylbutyl)benzene(4-Methylhexan-3-yl)benzeneSCHEMBL10740235SCHEMBL22009966SCHEMBL28411588DTXSID10130643679101-72-7
Database identifiers
- CAS
79101-72-7- PubChem CID
- 12729338
- DTXSID
DTXSID101306436
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 122
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Compound notes
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