CID 19895223

C5H12ClO2Si — CID 19895223

IUPAC—
SMILESCCC(Cl)[Si](OC)OC
InChIInChI=1S/C5H12ClO2Si/c1-4-5(6)9(7-2)8-3/h5H,4H2,1-3H3
InChIKeyCBKOZFDSOFBEQB-UHFFFAOYSA-N
MW167.69 g/mol
LogP1.32
Rot. Bonds4

About CID 19895223

CID 19895223 (PubChem CID 19895223) has the molecular formula C5H12ClO2Si and a molecular weight of 167.69 g/mol.

Molecular Properties

Compound NameCID 19895223
PubChem CID19895223
Molecular FormulaC5H12ClO2Si
Molecular Weight167.69 g/mol
Exact Mass167.03
IUPAC Name—
SMILESCCC(Cl)[Si](OC)OC
InChIInChI=1S/C5H12ClO2Si/c1-4-5(6)9(7-2)8-3/h5H,4H2,1-3H3
InChIKeyCBKOZFDSOFBEQB-UHFFFAOYSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.69
LogP ≤ 51.32
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 19895223?
The IUPAC name of CID 19895223 (CID 19895223) is not available.
What is the SMILES notation for CID 19895223?
The canonical SMILES for CID 19895223 is CCC(Cl)[Si](OC)OC.
What is the InChIKey of CID 19895223?
The InChIKey is CBKOZFDSOFBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClO2Si/c1-4-5(6)9(7-2)8-3/h5H,4H2,1-3H3.
What are the key properties of CID 19895223?
CID 19895223 has a molecular weight of 167.69 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19895223 is sourced from PubChem (CID 19895223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).