CID 59509655

C23H30NO4SiU- — CID 59509655

IUPAC—
SMILESCON1C[C@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[CH-][C@H]1[C@@H]2O.[U]
InChIInChI=1S/C23H30NO4Si.U/c1-22(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-17-23-16-24(26-4)20(15-27-23)21(23)25;/h5-15,20-21,25H,16-17H2,1-4H3;/q-1;/t20-,21-,23+;/m0./s1
InChIKeyUQGXQLOOLQNESE-XVGZVFJZSA-N
MW650.61 g/mol
LogP2.10
Rot. Bonds6

About CID 59509655

CID 59509655 (PubChem CID 59509655) has the molecular formula C23H30NO4SiU- and a molecular weight of 650.61 g/mol.

Molecular Properties

Compound NameCID 59509655
PubChem CID59509655
Molecular FormulaC23H30NO4SiU-
Molecular Weight650.61 g/mol
Exact Mass650.25
IUPAC Name—
SMILESCON1C[C@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[CH-][C@H]1[C@@H]2O.[U]
InChIInChI=1S/C23H30NO4Si.U/c1-22(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-17-23-16-24(26-4)20(15-27-23)21(23)25;/h5-15,20-21,25H,16-17H2,1-4H3;/q-1;/t20-,21-,23+;/m0./s1
InChIKeyUQGXQLOOLQNESE-XVGZVFJZSA-N
XLogP2.10
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.61
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
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1-[(1R,2S,5S,7R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-9,9-dimethyl-6,8,10-trioxa-3-azatricyclo[5.3.0.02,5]decan-3-yl]-2,2,2-trifluoroethanone
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Frequently Asked Questions

What is the IUPAC name of CID 59509655?
The IUPAC name of CID 59509655 (CID 59509655) is not available.
What is the SMILES notation for CID 59509655?
The canonical SMILES for CID 59509655 is CON1C[C@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[CH-][C@H]1[C@@H]2O.[U].
What is the InChIKey of CID 59509655?
The InChIKey is UQGXQLOOLQNESE-XVGZVFJZSA-N. The full InChI is InChI=1S/C23H30NO4Si.U/c1-22(2,3)29(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-17-23-16-24(26-4)20(15-27-23)21(23)25;/h5-15,20-21,25H,16-17H2,1-4H3;/q-1;/t20-,21-,23+;/m0./s1.
What are the key properties of CID 59509655?
CID 59509655 has a molecular weight of 650.61 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59509655 is sourced from PubChem (CID 59509655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).