CID 174652407

C13H12O6Si — CID 174652407

IUPAC—
SMILESC=CC(=O)O[Si]c1cccc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C13H12O6Si/c1-4-12(16)19-20-11-7-5-6-10(17-8(2)14)13(11)18-9(3)15/h4-7H,1H2,2-3H3
InChIKeyNAOATHFPMXLCGL-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.51
Rot. Bonds5

About CID 174652407

CID 174652407 (PubChem CID 174652407) has the molecular formula C13H12O6Si and a molecular weight of 292.32 g/mol.

Molecular Properties

Compound NameCID 174652407
PubChem CID174652407
Molecular FormulaC13H12O6Si
Molecular Weight292.32 g/mol
Exact Mass292.04
IUPAC Name—
SMILESC=CC(=O)O[Si]c1cccc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C13H12O6Si/c1-4-12(16)19-20-11-7-5-6-10(17-8(2)14)13(11)18-9(3)15/h4-7H,1H2,2-3H3
InChIKeyNAOATHFPMXLCGL-UHFFFAOYSA-N
XLogP0.51
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174652407?
The IUPAC name of CID 174652407 (CID 174652407) is not available.
What is the SMILES notation for CID 174652407?
The canonical SMILES for CID 174652407 is C=CC(=O)O[Si]c1cccc(OC(C)=O)c1OC(C)=O.
What is the InChIKey of CID 174652407?
The InChIKey is NAOATHFPMXLCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6Si/c1-4-12(16)19-20-11-7-5-6-10(17-8(2)14)13(11)18-9(3)15/h4-7H,1H2,2-3H3.
What are the key properties of CID 174652407?
CID 174652407 has a molecular weight of 292.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174652407 is sourced from PubChem (CID 174652407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).