CID 174469049

C10H12O4Si — CID 174469049

IUPAC—
SMILESC[Si]C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C2H6Si/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-2/h1-4H,(H,9,10)(H,11,12);1-2H3
InChIKeyMVHUCOFTQLARCG-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.87
Rot. Bonds2

About CID 174469049

CID 174469049 (PubChem CID 174469049) has the molecular formula C10H12O4Si and a molecular weight of 224.29 g/mol.

Molecular Properties

Compound NameCID 174469049
PubChem CID174469049
Molecular FormulaC10H12O4Si
Molecular Weight224.29 g/mol
Exact Mass224.05
IUPAC Name—
SMILESC[Si]C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C2H6Si/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-2/h1-4H,(H,9,10)(H,11,12);1-2H3
InChIKeyMVHUCOFTQLARCG-UHFFFAOYSA-N
XLogP1.87
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
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 174469049?
The IUPAC name of CID 174469049 (CID 174469049) is not available.
What is the SMILES notation for CID 174469049?
The canonical SMILES for CID 174469049 is C[Si]C.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of CID 174469049?
The InChIKey is MVHUCOFTQLARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C2H6Si/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-2/h1-4H,(H,9,10)(H,11,12);1-2H3.
What are the key properties of CID 174469049?
CID 174469049 has a molecular weight of 224.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174469049 is sourced from PubChem (CID 174469049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).