2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one

C15H26O3Si — CID 14689917

IUPAC2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
SMILESC=C(C[Si](C)(C)C)C1(O)C(=O)C(CCCC)=C1OC
InChIInChI=1S/C15H26O3Si/c1-7-8-9-12-13(16)15(17,14(12)18-3)11(2)10-19(4,5)6/h17H,2,7-10H2,1,3-6H3
InChIKeyXSELEKUYFXWDHT-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.29
Rot. Bonds7

About 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one

2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one (PubChem CID 14689917) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
PubChem CID14689917
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
SMILESC=C(C[Si](C)(C)C)C1(O)C(=O)C(CCCC)=C1OC
InChIInChI=1S/C15H26O3Si/c1-7-8-9-12-13(16)15(17,14(12)18-3)11(2)10-19(4,5)6/h17H,2,7-10H2,1,3-6H3
InChIKeyXSELEKUYFXWDHT-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
CID 14689913
4-Hydroxy-2-(6-methylhept-5-en-2-yl)-3-[(2-methylpropan-2-yl)oxy]-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 14563004
4-(Cyclohexen-1-yl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 121003403
2-Butyl-4-hex-1-en-2-yl-4-hydroxy-3-[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 14562978
2-Butyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593189
4-Hydroxy-3-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10512083
2-Butyl-4-hydroxy-3-methoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
CID 10807942
2-Butyl-4-hydroxy-4-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10987581
CID 11772962
CID 11772962
2-Butyl-4-hydroxy-3-propan-2-yloxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 101072504
4-Butyl-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 132532613
(4S,5R)-4-butyl-4-hydroxy-3-methoxy-2-methyl-5-trimethylsilylcyclopent-2-en-1-one
CID 132532614

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one?
The IUPAC name of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one (CID 14689917) is 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one.
What is the SMILES notation for 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one?
The canonical SMILES for 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one is C=C(C[Si](C)(C)C)C1(O)C(=O)C(CCCC)=C1OC.
What is the InChIKey of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one?
The InChIKey is XSELEKUYFXWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-7-8-9-12-13(16)15(17,14(12)18-3)11(2)10-19(4,5)6/h17H,2,7-10H2,1,3-6H3.
What are the key properties of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one?
2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one has a molecular weight of 282.46 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one is sourced from PubChem (CID 14689917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).