1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene

C16H24O2 — CID 15837165

IUPAC1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1c(C)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C16H24O2/c1-10(2)8-9-14-13(5)15(17-6)11(3)12(4)16(14)18-7/h1,8-9H2,2-7H3
InChIKeyNXGDVSQGWBOHCA-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.14
Rot. Bonds5

About 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene

1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene (PubChem CID 15837165) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
PubChem CID15837165
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
SMILESC=C(C)CCc1c(C)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C16H24O2/c1-10(2)8-9-14-13(5)15(17-6)11(3)12(4)16(14)18-7/h1,8-9H2,2-7H3
InChIKeyNXGDVSQGWBOHCA-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene?
The IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene (CID 15837165) is 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene.
What is the SMILES notation for 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene?
The canonical SMILES for 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene is C=C(C)CCc1c(C)c(OC)c(C)c(C)c1OC.
What is the InChIKey of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene?
The InChIKey is NXGDVSQGWBOHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-10(2)8-9-14-13(5)15(17-6)11(3)12(4)16(14)18-7/h1,8-9H2,2-7H3.
What are the key properties of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene?
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene is sourced from PubChem (CID 15837165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).