2,6-Diethyltoluene

HCID 33045

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Basic information

CAS: 13632-95-6
Standard SMILES: CCc1cccc(CC)c1C
InChIKey: XZZNTLNFQVAKFD-UHFFFAOYSA-N
Molecular formula: C11H16
Average molar mass: 148.24 g/mol
Monoisotopic mass: 148.12520051

Names & identifiers

Preferred name: 2,6-Diethyltoluene
IUPAC: 1,3-diethyl-2-methylbenzene

Names & synonyms

1,3-diethyl-2-methylbenzeneBenzene, 1,3-diethyl-2-methyl-2,6-DiethyltolueneUNII-HO3SN45Q2OHO3SN45Q2ODTXSID80275012RefChem:197456DTXCID60226461XZZNTLNFQVAKFD-UHFFFAOYSA-N13632-95-6Benzene, diethylmethyl-1-methyl-2,6-diethylbenzene

Show more names

SCHEMBL198837SCHEMBL454953SCHEMBL458311SCHEMBL599099SCHEMBL2470764Q27280021

Database identifiers

CAS: 13632-95-6
PubChem CID: 33045
DTXSID: DTXSID80275012
UNII: HO3SN45Q2O
Nikkaji: J437.639K

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 94.6

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