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

C16H20O2 — CID 10911770

IUPAC1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene
SMILESC=C(C)C#Cc1c(C)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C16H20O2/c1-10(2)8-9-14-13(5)15(17-6)11(3)12(4)16(14)18-7/h1H2,2-7H3
InChIKeyYLXSZSREAWPTJQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.56
Rot. Bonds2

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

1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene (PubChem CID 10911770) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene
PubChem CID10911770
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene
SMILESC=C(C)C#Cc1c(C)c(OC)c(C)c(C)c1OC
InChIInChI=1S/C16H20O2/c1-10(2)8-9-14-13(5)15(17-6)11(3)12(4)16(14)18-7/h1H2,2-7H3
InChIKeyYLXSZSREAWPTJQ-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', '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-en-1-ynyl)benzene?
The IUPAC name of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene (CID 10911770) is 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene.
What is the SMILES notation for 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene?
The canonical SMILES for 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene is C=C(C)C#Cc1c(C)c(OC)c(C)c(C)c1OC.
What is the InChIKey of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene?
The InChIKey is YLXSZSREAWPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10(2)8-9-14-13(5)15(17-6)11(3)12(4)16(14)18-7/h1H2,2-7H3.
What are the key properties of 1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene?
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-en-1-ynyl)benzene has a molecular weight of 244.33 g/mol, XLogP of 3.56, 2 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-en-1-ynyl)benzene is sourced from PubChem (CID 10911770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).