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

C15H24O3Si — CID 14689913

IUPAC2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
SMILESCCCCC1=C(OC)C(O)(C#CC[Si](C)(C)C)C1=O
InChIInChI=1S/C15H24O3Si/c1-6-7-9-12-13(16)15(17,14(12)18-2)10-8-11-19(3,4)5/h17H,6-7,9,11H2,1-5H3
InChIKeyONVMARBGSJWZOS-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.73
Rot. Bonds5

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

2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one (PubChem CID 14689913) has the molecular formula C15H24O3Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
PubChem CID14689913
Molecular FormulaC15H24O3Si
Molecular Weight280.44 g/mol
Exact Mass280.15
IUPAC Name2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one
SMILESCCCCC1=C(OC)C(O)(C#CC[Si](C)(C)C)C1=O
InChIInChI=1S/C15H24O3Si/c1-6-7-9-12-13(16)15(17,14(12)18-2)10-8-11-19(3,4)5/h17H,6-7,9,11H2,1-5H3
InChIKeyONVMARBGSJWZOS-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 14562980
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
3,4-Dihydroxy-4-(2-methoxyethynyl)-2-undecylcyclobut-2-en-1-one
CID 11266825
2-Butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
CID 14689917
4-Butyl-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 132532613

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one?
The IUPAC name of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one (CID 14689913) is 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one?
The canonical SMILES for 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one is CCCCC1=C(OC)C(O)(C#CC[Si](C)(C)C)C1=O.
What is the InChIKey of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one?
The InChIKey is ONVMARBGSJWZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3Si/c1-6-7-9-12-13(16)15(17,14(12)18-2)10-8-11-19(3,4)5/h17H,6-7,9,11H2,1-5H3.
What are the key properties of 2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one?
2-butyl-4-hydroxy-3-methoxy-4-(3-trimethylsilylprop-1-ynyl)cyclobut-2-en-1-one has a molecular weight of 280.44 g/mol, XLogP of 2.73, 5 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-ynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 14689913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).