4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

C13H18O3Si — CID 15701463

IUPAC4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESC=CCC1(O)C(=O)C(C#C[Si](C)(C)C)=C1OC
InChIInChI=1S/C13H18O3Si/c1-6-8-13(15)11(14)10(12(13)16-2)7-9-17(3,4)5/h6,15H,1,8H2,2-5H3
InChIKeyGGPSOSFZAMZZNM-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.66
Rot. Bonds3

About 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (PubChem CID 15701463) has the molecular formula C13H18O3Si and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
PubChem CID15701463
Molecular FormulaC13H18O3Si
Molecular Weight250.37 g/mol
Exact Mass250.10
IUPAC Name4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESC=CCC1(O)C(=O)C(C#C[Si](C)(C)C)=C1OC
InChIInChI=1S/C13H18O3Si/c1-6-8-13(15)11(14)10(12(13)16-2)7-9-17(3,4)5/h6,15H,1,8H2,2-5H3
InChIKeyGGPSOSFZAMZZNM-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.66
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'}, {'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-Ethenyl-4-hex-1-ynyl-4-hydroxy-3-methoxycyclobut-2-en-1-one
CID 14415860
4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one
CID 134876326
2-Ethenyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 10607455
4-Hydroxy-3-methoxy-2-(2-methylprop-1-enyl)-4-prop-2-enylcyclobut-2-en-1-one
CID 10488577
4-Hydroxy-2,3-dimethoxy-4-(5-methyl-1-trimethylsilylhexa-3,4-dien-1-yn-3-yl)cyclobut-2-en-1-one
CID 10590797
4-[(5R)-5,9-dimethyl-3-trimethylsilyldec-8-en-1-ynyl]-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10643394
2-Hex-1-ynyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593191
3,4-Dimethoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 101614814
(4S)-4-hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
CID 125508328
(4R)-4-hydroxy-2,3-dimethoxy-4-(3-trimethylsilylprop-1-en-2-yl)cyclobut-2-en-1-one
CID 125508329

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (CID 15701463) is 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is C=CCC1(O)C(=O)C(C#C[Si](C)(C)C)=C1OC.
What is the InChIKey of 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The InChIKey is GGPSOSFZAMZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3Si/c1-6-8-13(15)11(14)10(12(13)16-2)7-9-17(3,4)5/h6,15H,1,8H2,2-5H3.
What are the key properties of 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one has a molecular weight of 250.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 15701463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).