Basic information
- CAS
64349-60-6- Standard SMILES
CCCCc1c(C)cccc1C- InChIKey
UDKAJPALXFAKKO-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- Benzene, butyl-1,3-dimethyl-
- IUPAC
- 2-butyl-1,3-dimethylbenzene
Names & synonyms
Benzene, 2-butyl-1,3-dimethyl2-butyl-1,3-dimethylbenzeneBenzene, butyl-1,3-dimethyl-butyl-m-xylol1,3-Dimethyl-2-n-Butylbenzene64349-60-6SCHEMBL198681SCHEMBL1609827SCHEMBL9240455DTXSID30336046UDKAJPALXFAKKO-UHFFFAOYSA-N
Database identifiers
- CAS
64349-60-6- PubChem CID
- 528696
- DTXSID
DTXSID30336046- Nikkaji
- J3.739.675C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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