2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one

C15H20Cl2O2Si — CID 12506577

IUPAC2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one
SMILESCC1(C)C(=O)C(Cl)(Cl)C1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H20Cl2O2Si/c1-13(2)12(18)15(16,17)14(13,19-20(3,4)5)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeySFKDJRXAQXPTLL-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.52
Rot. Bonds3

About 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one

2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one (PubChem CID 12506577) has the molecular formula C15H20Cl2O2Si and a molecular weight of 331.32 g/mol. Its IUPAC name is 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one.

Molecular Properties

Compound Name2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one
PubChem CID12506577
Molecular FormulaC15H20Cl2O2Si
Molecular Weight331.32 g/mol
Exact Mass330.06
IUPAC Name2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one
SMILESCC1(C)C(=O)C(Cl)(Cl)C1(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C15H20Cl2O2Si/c1-13(2)12(18)15(16,17)14(13,19-20(3,4)5)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKeySFKDJRXAQXPTLL-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one?
The IUPAC name of 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one (CID 12506577) is 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one.
What is the SMILES notation for 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one?
The canonical SMILES for 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one is CC1(C)C(=O)C(Cl)(Cl)C1(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one?
The InChIKey is SFKDJRXAQXPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O2Si/c1-13(2)12(18)15(16,17)14(13,19-20(3,4)5)11-9-7-6-8-10-11/h6-10H,1-5H3.
What are the key properties of 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one?
2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one has a molecular weight of 331.32 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-4,4-dimethyl-3-phenyl-3-trimethylsilyloxycyclobutan-1-one is sourced from PubChem (CID 12506577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).