2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione

C15H24O4Si — CID 13460298

IUPAC2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCC1=C([Si](C)(C)C)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C15H24O4Si/c1-7-8-9-10-11(16)13(18-2)14(19-3)12(17)15(10)20(4,5)6/h7-9H2,1-6H3
InChIKeyCLSSUBJCYQQXMY-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.01
Rot. Bonds6

About 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione

2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione (PubChem CID 13460298) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
PubChem CID13460298
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione
SMILESCCCCC1=C([Si](C)(C)C)C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C15H24O4Si/c1-7-8-9-10-11(16)13(18-2)14(19-3)12(17)15(10)20(4,5)6/h7-9H2,1-6H3
InChIKeyCLSSUBJCYQQXMY-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione (CID 13460298) is 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione is CCCCC1=C([Si](C)(C)C)C(=O)C(OC)=C(OC)C1=O.
What is the InChIKey of 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is CLSSUBJCYQQXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-7-8-9-10-11(16)13(18-2)14(19-3)12(17)15(10)20(4,5)6/h7-9H2,1-6H3.
What are the key properties of 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione?
2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 296.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-dimethoxy-3-trimethylsilylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 13460298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).