4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

C15H24O4Si — CID 14140284

IUPAC4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C15H24O4Si/c1-10(2)18-12-13(16)15(17,8-9-20(5,6)7)14(12)19-11(3)4/h10-11,17H,1-7H3
InChIKeyBIZSEJYCQSVKAM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds4

About 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one

4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (PubChem CID 14140284) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
PubChem CID14140284
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(C#C[Si](C)(C)C)C1=O
InChIInChI=1S/C15H24O4Si/c1-10(2)18-12-13(16)15(17,8-9-20(5,6)7)14(12)19-11(3)4/h10-11,17H,1-7H3
InChIKeyBIZSEJYCQSVKAM-UHFFFAOYSA-N
XLogP2.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-Cyclobuten-1-one, 2,3-diethoxy-4-hydroxy-4-[(trimethylsilyl)ethynyl]-
CID 11000066
4-(2-Ethoxyethynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 85574270
4-Hydroxy-2,3-dimethoxy-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one
CID 85574271
Ethyl 3-(1-hydroxy-2,3-dimethoxy-4-oxocyclobut-2-en-1-yl)prop-2-ynoate
CID 134892974
3,4-Diisopropoxy-2-hydroxy-2-methylcyclobut-3-ene-1-one
CID 14140277
4-(3-Hept-2-ynoxyprop-1-ynyl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 10447042
4-Hydroxy-2,3-dimethoxy-4-(1-methoxy-3-trimethylsilylhexa-1,2-dienyl)cyclobut-2-en-1-one
CID 10592256
4-Hydroxy-4-pent-1-ynyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 10978398
2,3-Dimethoxy-4-trimethylsilyloxy-4-(3-trimethylsilyloxyprop-1-ynyl)cyclobut-2-en-1-one
CID 13460297
4-Hex-1-ynyl-4-hydroxy-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
CID 14140283
4-Hex-1-ynyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 14169194
2,3-Diethoxy-4-hydroxy-4-methylcyclobut-2-en-1-one
CID 15191215

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one (CID 14140284) is 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(O)(C#C[Si](C)(C)C)C1=O.
What is the InChIKey of 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
The InChIKey is BIZSEJYCQSVKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-10(2)18-12-13(16)15(17,8-9-20(5,6)7)14(12)19-11(3)4/h10-11,17H,1-7H3.
What are the key properties of 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one?
4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-di(propan-2-yloxy)-4-(2-trimethylsilylethynyl)cyclobut-2-en-1-one is sourced from PubChem (CID 14140284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).