CID 6365477

C4H9Cl2O2Si — CID 6365477

IUPAC—
SMILESCOCCOC[Si](Cl)Cl
InChIInChI=1S/C4H9Cl2O2Si/c1-7-2-3-8-4-9(5)6/h2-4H2,1H3
InChIKeyBAQHXUPFNLAGLO-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.15
Rot. Bonds5

About CID 6365477

CID 6365477 (PubChem CID 6365477) has the molecular formula C4H9Cl2O2Si and a molecular weight of 188.11 g/mol.

Molecular Properties

Compound NameCID 6365477
PubChem CID6365477
Molecular FormulaC4H9Cl2O2Si
Molecular Weight188.11 g/mol
Exact Mass186.97
IUPAC Name—
SMILESCOCCOC[Si](Cl)Cl
InChIInChI=1S/C4H9Cl2O2Si/c1-7-2-3-8-4-9(5)6/h2-4H2,1H3
InChIKeyBAQHXUPFNLAGLO-UHFFFAOYSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6365477?
The IUPAC name of CID 6365477 (CID 6365477) is not available.
What is the SMILES notation for CID 6365477?
The canonical SMILES for CID 6365477 is COCCOC[Si](Cl)Cl.
What is the InChIKey of CID 6365477?
The InChIKey is BAQHXUPFNLAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2O2Si/c1-7-2-3-8-4-9(5)6/h2-4H2,1H3.
What are the key properties of CID 6365477?
CID 6365477 has a molecular weight of 188.11 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6365477 is sourced from PubChem (CID 6365477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).