1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene

C15H24O2 — CID 118455439

IUPAC1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
SMILESCCCCc1c(C)c(C)c(OC)c(OC)c1C
InChIInChI=1S/C15H24O2/c1-7-8-9-13-10(2)11(3)14(16-5)15(17-6)12(13)4/h7-9H2,1-6H3
InChIKeyKLRKUJQYKROIBF-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.97
Rot. Bonds5

About 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene

1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene (PubChem CID 118455439) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene.

Molecular Properties

Compound Name1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
PubChem CID118455439
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
SMILESCCCCc1c(C)c(C)c(OC)c(OC)c1C
InChIInChI=1S/C15H24O2/c1-7-8-9-13-10(2)11(3)14(16-5)15(17-6)12(13)4/h7-9H2,1-6H3
InChIKeyKLRKUJQYKROIBF-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene?
The IUPAC name of 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene (CID 118455439) is 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene.
What is the SMILES notation for 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene?
The canonical SMILES for 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene is CCCCc1c(C)c(C)c(OC)c(OC)c1C.
What is the InChIKey of 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene?
The InChIKey is KLRKUJQYKROIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-7-8-9-13-10(2)11(3)14(16-5)15(17-6)12(13)4/h7-9H2,1-6H3.
What are the key properties of 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene?
1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene has a molecular weight of 236.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene is sourced from PubChem (CID 118455439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).