californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one

C16H25CfO4Si- — CID 153467685

IUPACcalifornium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one
SMILESCO[Si](C)(CCCOC(C)(C)C(=O)c1cc[c-]cc1)OC.[Cf]
InChIInChI=1S/C16H25O4Si.Cf/c1-16(2,15(17)14-10-7-6-8-11-14)20-12-9-13-21(5,18-3)19-4;/h7-8,10-11H,9,12-13H2,1-5H3;/q-1;
InChIKeyIWEDGHIDRQKRFW-UHFFFAOYSA-N
MW560.46 g/mol
LogP3.22
Rot. Bonds9

About californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one

californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one (PubChem CID 153467685) has the molecular formula C16H25CfO4Si- and a molecular weight of 560.46 g/mol. Its IUPAC name is californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Namecalifornium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one
PubChem CID153467685
Molecular FormulaC16H25CfO4Si-
Molecular Weight560.46 g/mol
Exact Mass558.23
IUPAC Namecalifornium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one
SMILESCO[Si](C)(CCCOC(C)(C)C(=O)c1cc[c-]cc1)OC.[Cf]
InChIInChI=1S/C16H25O4Si.Cf/c1-16(2,15(17)14-10-7-6-8-11-14)20-12-9-13-21(5,18-3)19-4;/h7-8,10-11H,9,12-13H2,1-5H3;/q-1;
InChIKeyIWEDGHIDRQKRFW-UHFFFAOYSA-N
XLogP3.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Californium;2-[3-[methoxy(dimethyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one
CID 153467673
2-methyl-5-[(Z)-2-methyl-7-trimethylsilyl-3-tri(propan-2-yl)silyloxyhept-5-en-2-yl]oxycyclohexa-2,5-diene-1,4-dione
CID 71486242

Frequently Asked Questions

What is the IUPAC name of californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one?
The IUPAC name of californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one (CID 153467685) is californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one is CO[Si](C)(CCCOC(C)(C)C(=O)c1cc[c-]cc1)OC.[Cf].
What is the InChIKey of californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one?
The InChIKey is IWEDGHIDRQKRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O4Si.Cf/c1-16(2,15(17)14-10-7-6-8-11-14)20-12-9-13-21(5,18-3)19-4;/h7-8,10-11H,9,12-13H2,1-5H3;/q-1;.
What are the key properties of californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one?
californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one has a molecular weight of 560.46 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for californium;2-[3-[dimethoxy(methyl)silyl]propoxy]-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 153467685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).