CID 175577732

C7H9O6Si — CID 175577732

IUPAC
SMILESO=C(O)c1ccccc1O.O[Si](O)O
InChIInChI=1S/C7H6O3.H3O3Si/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3/h1-4,8H,(H,9,10);1-3H
InChIKeyFHYRQBWBRQLKNJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.96
Rot. Bonds1

About CID 175577732

CID 175577732 (PubChem CID 175577732) has the molecular formula C7H9O6Si and a molecular weight of 217.23 g/mol.

Molecular Properties

Compound NameCID 175577732
PubChem CID175577732
Molecular FormulaC7H9O6Si
Molecular Weight217.23 g/mol
Exact Mass217.02
IUPAC Name
SMILESO=C(O)c1ccccc1O.O[Si](O)O
InChIInChI=1S/C7H6O3.H3O3Si/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3/h1-4,8H,(H,9,10);1-3H
InChIKeyFHYRQBWBRQLKNJ-UHFFFAOYSA-N
XLogP-0.96
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 175577732?
The IUPAC name of CID 175577732 (CID 175577732) is not available.
What is the SMILES notation for CID 175577732?
The canonical SMILES for CID 175577732 is O=C(O)c1ccccc1O.O[Si](O)O.
What is the InChIKey of CID 175577732?
The InChIKey is FHYRQBWBRQLKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.H3O3Si/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3/h1-4,8H,(H,9,10);1-3H.
What are the key properties of CID 175577732?
CID 175577732 has a molecular weight of 217.23 g/mol, XLogP of -0.96, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175577732 is sourced from PubChem (CID 175577732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).