3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one

C16H26O2Si — CID 174598655

IUPAC3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one
SMILESCC(=O)C(Cc1ccccc1)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C16H26O2Si/c1-13(17)16(15(2,3)4,18-19(5)6)12-14-10-8-7-9-11-14/h7-11,19H,12H2,1-6H3
InChIKeyQKJMOSKBIQSOMT-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.60
Rot. Bonds5

About 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one

3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one (PubChem CID 174598655) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one
PubChem CID174598655
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one
SMILESCC(=O)C(Cc1ccccc1)(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C16H26O2Si/c1-13(17)16(15(2,3)4,18-19(5)6)12-14-10-8-7-9-11-14/h7-11,19H,12H2,1-6H3
InChIKeyQKJMOSKBIQSOMT-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.60
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

3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
[(2R)-2-benzyl-3-hydroxy-2-methylpropyl] acetate
CID 101384637
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
2-dimethylsilyl-2-methyl-3-phenylpropanoic acid
CID 150192897
tert-butyl (2S)-2-amino-2-benzyl-3-oxobutanoate
CID 102233741
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
tert-butyl 2-benzyl-2-methyl-3-oxobutanoate
CID 102300490
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
methyl 2-[[(2R)-2-amino-2-benzyl-3-oxobutanoyl]amino]-2-methoxyacetate
CID 91157706
2-(3-hydroxypropoxy)-2-methyl-3-phenylpropanoic acid
CID 103377988

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
The IUPAC name of 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one (CID 174598655) is 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one.
What is the SMILES notation for 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
The canonical SMILES for 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one is CC(=O)C(Cc1ccccc1)(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
The InChIKey is QKJMOSKBIQSOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-13(17)16(15(2,3)4,18-19(5)6)12-14-10-8-7-9-11-14/h7-11,19H,12H2,1-6H3.
What are the key properties of 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one?
3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one has a molecular weight of 278.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-dimethylsilyloxy-4,4-dimethylpentan-2-one is sourced from PubChem (CID 174598655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).