CID 20652028

C14H18NO5PSi — CID 20652028

IUPAC—
SMILESCOC(=O)C(C(C)O[Si]P)N1C(=O)C(O)C1c1ccccc1
InChIInChI=1S/C14H18NO5PSi/c1-8(20-22-21)10(14(18)19-2)15-11(12(16)13(15)17)9-6-4-3-5-7-9/h3-8,10-12,16H,21H2,1-2H3
InChIKeyUOMFYPKWWKZSOO-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.29
Rot. Bonds6

About CID 20652028

CID 20652028 (PubChem CID 20652028) has the molecular formula C14H18NO5PSi and a molecular weight of 339.36 g/mol.

Molecular Properties

Compound NameCID 20652028
PubChem CID20652028
Molecular FormulaC14H18NO5PSi
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name—
SMILESCOC(=O)C(C(C)O[Si]P)N1C(=O)C(O)C1c1ccccc1
InChIInChI=1S/C14H18NO5PSi/c1-8(20-22-21)10(14(18)19-2)15-11(12(16)13(15)17)9-6-4-3-5-7-9/h3-8,10-12,16H,21H2,1-2H3
InChIKeyUOMFYPKWWKZSOO-UHFFFAOYSA-N
XLogP0.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20652028?
The IUPAC name of CID 20652028 (CID 20652028) is not available.
What is the SMILES notation for CID 20652028?
The canonical SMILES for CID 20652028 is COC(=O)C(C(C)O[Si]P)N1C(=O)C(O)C1c1ccccc1.
What is the InChIKey of CID 20652028?
The InChIKey is UOMFYPKWWKZSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO5PSi/c1-8(20-22-21)10(14(18)19-2)15-11(12(16)13(15)17)9-6-4-3-5-7-9/h3-8,10-12,16H,21H2,1-2H3.
What are the key properties of CID 20652028?
CID 20652028 has a molecular weight of 339.36 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20652028 is sourced from PubChem (CID 20652028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).