CID 45050262

C14H13O2Si — CID 45050262

IUPAC—
SMILESCC(=O)O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2Si/c1-12(15)16-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeySBNOOBUXZIWKSB-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.36
Rot. Bonds3

About CID 45050262

CID 45050262 (PubChem CID 45050262) has the molecular formula C14H13O2Si and a molecular weight of 241.34 g/mol.

Molecular Properties

Compound NameCID 45050262
PubChem CID45050262
Molecular FormulaC14H13O2Si
Molecular Weight241.34 g/mol
Exact Mass241.07
IUPAC Name—
SMILESCC(=O)O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O2Si/c1-12(15)16-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeySBNOOBUXZIWKSB-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 45050262?
The IUPAC name of CID 45050262 (CID 45050262) is not available.
What is the SMILES notation for CID 45050262?
The canonical SMILES for CID 45050262 is CC(=O)O[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 45050262?
The InChIKey is SBNOOBUXZIWKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O2Si/c1-12(15)16-17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of CID 45050262?
CID 45050262 has a molecular weight of 241.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45050262 is sourced from PubChem (CID 45050262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).