2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione

C15H22O4Si — CID 175720772

IUPAC2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione
SMILESCCC[Si](OC)(OC)C(C(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C15H22O4Si/c1-5-11-20(18-3,19-4)15(12(2)16)14(17)13-9-7-6-8-10-13/h6-10,15H,5,11H2,1-4H3
InChIKeyWNZYWJQDSGDVMC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.97
Rot. Bonds8

About 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione

2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione (PubChem CID 175720772) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione.

Molecular Properties

Compound Name2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione
PubChem CID175720772
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione
SMILESCCC[Si](OC)(OC)C(C(C)=O)C(=O)c1ccccc1
InChIInChI=1S/C15H22O4Si/c1-5-11-20(18-3,19-4)15(12(2)16)14(17)13-9-7-6-8-10-13/h6-10,15H,5,11H2,1-4H3
InChIKeyWNZYWJQDSGDVMC-UHFFFAOYSA-N
XLogP2.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
CID 175720715
bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
CID 175720659
1-phenyl-2-propoxypropan-1-one
CID 43801137
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
ethane;methyl 2-benzoyl-4-oxopentanoate
CID 91281655
ethyl 2-benzoyl-4-oxopentanoate
CID 14689358
ethyl (2R)-2-fluoro-3-oxo-3-phenylpropanoate
CID 98056042
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
methyl 2-(hydroxymethyl)-3-oxo-3-phenylpropanoate
CID 54180026
3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one
CID 11382955

Frequently Asked Questions

What is the IUPAC name of 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione?
The IUPAC name of 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione (CID 175720772) is 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione.
What is the SMILES notation for 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione?
The canonical SMILES for 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione is CCC[Si](OC)(OC)C(C(C)=O)C(=O)c1ccccc1.
What is the InChIKey of 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione?
The InChIKey is WNZYWJQDSGDVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-5-11-20(18-3,19-4)15(12(2)16)14(17)13-9-7-6-8-10-13/h6-10,15H,5,11H2,1-4H3.
What are the key properties of 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione?
2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione has a molecular weight of 294.42 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione is sourced from PubChem (CID 175720772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).