CID 54525975

C12H11O3PSi — CID 54525975

IUPAC—
SMILESO=P(O[Si]O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O3PSi/c13-16(15-17-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKeyYTDIGCCJZUZSKA-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.46
Rot. Bonds4

About CID 54525975

CID 54525975 (PubChem CID 54525975) has the molecular formula C12H11O3PSi and a molecular weight of 262.28 g/mol.

Molecular Properties

Compound NameCID 54525975
PubChem CID54525975
Molecular FormulaC12H11O3PSi
Molecular Weight262.28 g/mol
Exact Mass262.02
IUPAC Name—
SMILESO=P(O[Si]O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11O3PSi/c13-16(15-17-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKeyYTDIGCCJZUZSKA-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 54525975?
The IUPAC name of CID 54525975 (CID 54525975) is not available.
What is the SMILES notation for CID 54525975?
The canonical SMILES for CID 54525975 is O=P(O[Si]O)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 54525975?
The InChIKey is YTDIGCCJZUZSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3PSi/c13-16(15-17-14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of CID 54525975?
CID 54525975 has a molecular weight of 262.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54525975 is sourced from PubChem (CID 54525975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).