CID 155665877

C6H10ClNO3Si — CID 155665877

IUPAC—
SMILESCOC(CCN=C=O)(OC)[Si]Cl
InChIInChI=1S/C6H10ClNO3Si/c1-10-6(11-2,12-7)3-4-8-5-9/h3-4H2,1-2H3
InChIKeyYPEOLCGYTKXBLX-UHFFFAOYSA-N
MW207.69 g/mol
LogP0.52
Rot. Bonds6

About CID 155665877

CID 155665877 (PubChem CID 155665877) has the molecular formula C6H10ClNO3Si and a molecular weight of 207.69 g/mol.

Molecular Properties

Compound NameCID 155665877
PubChem CID155665877
Molecular FormulaC6H10ClNO3Si
Molecular Weight207.69 g/mol
Exact Mass207.01
IUPAC Name—
SMILESCOC(CCN=C=O)(OC)[Si]Cl
InChIInChI=1S/C6H10ClNO3Si/c1-10-6(11-2,12-7)3-4-8-5-9/h3-4H2,1-2H3
InChIKeyYPEOLCGYTKXBLX-UHFFFAOYSA-N
XLogP0.52
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.69
LogP ≤ 50.52
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 155665877?
The IUPAC name of CID 155665877 (CID 155665877) is not available.
What is the SMILES notation for CID 155665877?
The canonical SMILES for CID 155665877 is COC(CCN=C=O)(OC)[Si]Cl.
What is the InChIKey of CID 155665877?
The InChIKey is YPEOLCGYTKXBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3Si/c1-10-6(11-2,12-7)3-4-8-5-9/h3-4H2,1-2H3.
What are the key properties of CID 155665877?
CID 155665877 has a molecular weight of 207.69 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155665877 is sourced from PubChem (CID 155665877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).