CID 22388795

C9H14ClO2Si — CID 22388795

IUPAC—
SMILESCO[Si](OC)C12C=CC(C1)C(Cl)C2
InChIInChI=1S/C9H14ClO2Si/c1-11-13(12-2)9-4-3-7(5-9)8(10)6-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOQRPHIGEQRIRHV-UHFFFAOYSA-N
MW217.75 g/mol
LogP2.10
Rot. Bonds3

About CID 22388795

CID 22388795 (PubChem CID 22388795) has the molecular formula C9H14ClO2Si and a molecular weight of 217.75 g/mol.

Molecular Properties

Compound NameCID 22388795
PubChem CID22388795
Molecular FormulaC9H14ClO2Si
Molecular Weight217.75 g/mol
Exact Mass217.05
IUPAC Name—
SMILESCO[Si](OC)C12C=CC(C1)C(Cl)C2
InChIInChI=1S/C9H14ClO2Si/c1-11-13(12-2)9-4-3-7(5-9)8(10)6-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyOQRPHIGEQRIRHV-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.75
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22388795?
The IUPAC name of CID 22388795 (CID 22388795) is not available.
What is the SMILES notation for CID 22388795?
The canonical SMILES for CID 22388795 is CO[Si](OC)C12C=CC(C1)C(Cl)C2.
What is the InChIKey of CID 22388795?
The InChIKey is OQRPHIGEQRIRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClO2Si/c1-11-13(12-2)9-4-3-7(5-9)8(10)6-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of CID 22388795?
CID 22388795 has a molecular weight of 217.75 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22388795 is sourced from PubChem (CID 22388795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).