4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one

C15H26O4Si — CID 134887180

IUPAC4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CC1(O[Si](C)(C)C)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C15H26O4Si/c1-9-15(19-20(6,7)8)13(16)12(17-10(2)3)14(15)18-11(4)5/h9-11H,1H2,2-8H3
InChIKeyKWACMCLHXINOIT-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.41
Rot. Bonds7

About 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one

4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one (PubChem CID 134887180) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
PubChem CID134887180
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Name4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one
SMILESC=CC1(O[Si](C)(C)C)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C15H26O4Si/c1-9-15(19-20(6,7)8)13(16)12(17-10(2)3)14(15)18-11(4)5/h9-11H,1H2,2-8H3
InChIKeyKWACMCLHXINOIT-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
The IUPAC name of 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one (CID 134887180) is 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one.
What is the SMILES notation for 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
The canonical SMILES for 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one is C=CC1(O[Si](C)(C)C)C(=O)C(OC(C)C)=C1OC(C)C.
What is the InChIKey of 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
The InChIKey is KWACMCLHXINOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-9-15(19-20(6,7)8)13(16)12(17-10(2)3)14(15)18-11(4)5/h9-11H,1H2,2-8H3.
What are the key properties of 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one?
4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one has a molecular weight of 298.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3-di(propan-2-yloxy)-4-trimethylsilyloxycyclobut-2-en-1-one is sourced from PubChem (CID 134887180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).