4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one

C14H24O3Si — CID 134876326

IUPAC4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one
SMILESCC1=C(OC(C)(C)C)C(O)(/C=C\[Si](C)(C)C)C1=O
InChIInChI=1S/C14H24O3Si/c1-10-11(15)14(16,8-9-18(5,6)7)12(10)17-13(2,3)4/h8-9,16H,1-7H3/b9-8-
InChIKeyFDFNPINMULIGDR-HJWRWDBZSA-N
MW268.43 g/mol
LogP2.82
Rot. Bonds3

About 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one

4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one (PubChem CID 134876326) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one
PubChem CID134876326
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one
SMILESCC1=C(OC(C)(C)C)C(O)(/C=C\[Si](C)(C)C)C1=O
InChIInChI=1S/C14H24O3Si/c1-10-11(15)14(16,8-9-18(5,6)7)12(10)17-13(2,3)4/h8-9,16H,1-7H3/b9-8-
InChIKeyFDFNPINMULIGDR-HJWRWDBZSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
4-Hydroxy-3-methoxy-4-prop-2-enyl-2-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 15701463

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one (CID 134876326) is 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one is CC1=C(OC(C)(C)C)C(O)(/C=C\[Si](C)(C)C)C1=O.
What is the InChIKey of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one?
The InChIKey is FDFNPINMULIGDR-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-10-11(15)14(16,8-9-18(5,6)7)12(10)17-13(2,3)4/h8-9,16H,1-7H3/b9-8-.
What are the key properties of 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one?
4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one has a molecular weight of 268.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]-4-[(Z)-2-trimethylsilylethenyl]cyclobut-2-en-1-one is sourced from PubChem (CID 134876326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).