CID 175241707

C11H13O4Si — CID 175241707

IUPAC—
SMILESCOc1ccccc1C(=O)C([Si])(OC)OC
InChIInChI=1S/C11H13O4Si/c1-13-9-7-5-4-6-8(9)10(12)11(16,14-2)15-3/h4-7H,1-3H3
InChIKeyPZUHMBANEBPSDB-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.99
Rot. Bonds5

About CID 175241707

CID 175241707 (PubChem CID 175241707) has the molecular formula C11H13O4Si and a molecular weight of 237.31 g/mol.

Molecular Properties

Compound NameCID 175241707
PubChem CID175241707
Molecular FormulaC11H13O4Si
Molecular Weight237.31 g/mol
Exact Mass237.06
IUPAC Name—
SMILESCOc1ccccc1C(=O)C([Si])(OC)OC
InChIInChI=1S/C11H13O4Si/c1-13-9-7-5-4-6-8(9)10(12)11(16,14-2)15-3/h4-7H,1-3H3
InChIKeyPZUHMBANEBPSDB-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175241707?
The IUPAC name of CID 175241707 (CID 175241707) is not available.
What is the SMILES notation for CID 175241707?
The canonical SMILES for CID 175241707 is COc1ccccc1C(=O)C([Si])(OC)OC.
What is the InChIKey of CID 175241707?
The InChIKey is PZUHMBANEBPSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4Si/c1-13-9-7-5-4-6-8(9)10(12)11(16,14-2)15-3/h4-7H,1-3H3.
What are the key properties of CID 175241707?
CID 175241707 has a molecular weight of 237.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175241707 is sourced from PubChem (CID 175241707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).