2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione

C16H20O4Si — CID 10685951

IUPAC2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione
SMILESC=C(C)C1=C(C#C[Si](C)(C)C)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C16H20O4Si/c1-10(2)12-11(8-9-21(5,6)7)13(17)15(19-3)16(20-4)14(12)18/h1H2,2-7H3
InChIKeyHILXHGWGPUNLED-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.40
Rot. Bonds3

About 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione

2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 10685951) has the molecular formula C16H20O4Si and a molecular weight of 304.42 g/mol. Its IUPAC name is 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID10685951
Molecular FormulaC16H20O4Si
Molecular Weight304.42 g/mol
Exact Mass304.11
IUPAC Name2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione
SMILESC=C(C)C1=C(C#C[Si](C)(C)C)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C16H20O4Si/c1-10(2)12-11(8-9-21(5,6)7)13(17)15(19-3)16(20-4)14(12)18/h1H2,2-7H3
InChIKeyHILXHGWGPUNLED-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione (CID 10685951) is 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione is C=C(C)C1=C(C#C[Si](C)(C)C)C(=O)C(OC)=C(OC)C1=O.
What is the InChIKey of 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is HILXHGWGPUNLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4Si/c1-10(2)12-11(8-9-21(5,6)7)13(17)15(19-3)16(20-4)14(12)18/h1H2,2-7H3.
What are the key properties of 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione?
2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 304.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5-prop-1-en-2-yl-6-(2-trimethylsilylethynyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10685951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).