3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione

C15H24O3Si — CID 14689915

IUPAC3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCCCCC1=C(OC)C(=O)C=C(C[Si](C)(C)C)C1=O
InChIInChI=1S/C15H24O3Si/c1-6-7-8-12-14(17)11(10-19(3,4)5)9-13(16)15(12)18-2/h9H,6-8,10H2,1-5H3
InChIKeyFNOUSFGLKHELLU-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.49
Rot. Bonds6

About 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione

3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 14689915) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID14689915
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione
SMILESCCCCC1=C(OC)C(=O)C=C(C[Si](C)(C)C)C1=O
InChIInChI=1S/C15H24O3Si/c1-6-7-8-12-14(17)11(10-19(3,4)5)9-13(16)15(12)18-2/h9H,6-8,10H2,1-5H3
InChIKeyFNOUSFGLKHELLU-UHFFFAOYSA-N
XLogP3.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione (CID 14689915) is 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione is CCCCC1=C(OC)C(=O)C=C(C[Si](C)(C)C)C1=O.
What is the InChIKey of 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is FNOUSFGLKHELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-6-7-8-12-14(17)11(10-19(3,4)5)9-13(16)15(12)18-2/h9H,6-8,10H2,1-5H3.
What are the key properties of 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione?
3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 280.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methoxy-5-(trimethylsilylmethyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 14689915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).