1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one

C15H23ClO2Si — CID 57187117

IUPAC1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one
SMILESCC(C)(C)C(O[Si](C)(C)C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO2Si/c1-15(2,3)14(18-19(4,5)6)13(17)11-7-9-12(16)10-8-11/h7-10,14H,1-6H3
InChIKeyNJFROIPTFYGZDC-UHFFFAOYSA-N
MW298.89 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one

1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one (PubChem CID 57187117) has the molecular formula C15H23ClO2Si and a molecular weight of 298.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one
PubChem CID57187117
Molecular FormulaC15H23ClO2Si
Molecular Weight298.89 g/mol
Exact Mass298.12
IUPAC Name1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one
SMILESCC(C)(C)C(O[Si](C)(C)C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClO2Si/c1-15(2,3)14(18-19(4,5)6)13(17)11-7-9-12(16)10-8-11/h7-10,14H,1-6H3
InChIKeyNJFROIPTFYGZDC-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.89
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3,3-difluoro-2-methylbutan-1-one
CID 130605207
1-(4-chlorophenyl)-2,2,4-trimethylpentane-1,3-dione
CID 15903801
3,4-bis(4-chlorobenzoyl)hexane-2,5-dione
CID 46243237
1-(4-chlorophenyl)-2-methylbutane-1,3-dione
CID 83533665
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 2,2-dimethylpropanoate
CID 44551031
2,3-dibromo-1,4-bis(4-chlorophenyl)butane-1,4-dione
CID 12544461
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
methyl 2-chloro-3-(4-chlorophenyl)-3-oxopropanoate
CID 82479665
bis((E)-but-2-enedioic acid);2-(tert-butylamino)-1-(4-chlorophenyl)propan-1-one
CID 131698964
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 116709705
(2R)-2-chloro-1-(4-chlorophenyl)-2-fluoroethanone
CID 93494356
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one (CID 57187117) is 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one is CC(C)(C)C(O[Si](C)(C)C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one?
The InChIKey is NJFROIPTFYGZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2Si/c1-15(2,3)14(18-19(4,5)6)13(17)11-7-9-12(16)10-8-11/h7-10,14H,1-6H3.
What are the key properties of 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one?
1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one has a molecular weight of 298.89 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,3-dimethyl-2-trimethylsilyloxybutan-1-one is sourced from PubChem (CID 57187117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).