CID 87214020

C5H9Cl3OSi — CID 87214020

IUPAC—
SMILESClCCC[Si]OCC(Cl)Cl
InChIInChI=1S/C5H9Cl3OSi/c6-2-1-3-10-9-4-5(7)8/h5H,1-4H2
InChIKeyACHRCKORRHVLHL-UHFFFAOYSA-N
MW219.57 g/mol
LogP2.47
Rot. Bonds6

About CID 87214020

CID 87214020 (PubChem CID 87214020) has the molecular formula C5H9Cl3OSi and a molecular weight of 219.57 g/mol.

Molecular Properties

Compound NameCID 87214020
PubChem CID87214020
Molecular FormulaC5H9Cl3OSi
Molecular Weight219.57 g/mol
Exact Mass217.95
IUPAC Name—
SMILESClCCC[Si]OCC(Cl)Cl
InChIInChI=1S/C5H9Cl3OSi/c6-2-1-3-10-9-4-5(7)8/h5H,1-4H2
InChIKeyACHRCKORRHVLHL-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.57
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 87214020?
The IUPAC name of CID 87214020 (CID 87214020) is not available.
What is the SMILES notation for CID 87214020?
The canonical SMILES for CID 87214020 is ClCCC[Si]OCC(Cl)Cl.
What is the InChIKey of CID 87214020?
The InChIKey is ACHRCKORRHVLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl3OSi/c6-2-1-3-10-9-4-5(7)8/h5H,1-4H2.
What are the key properties of CID 87214020?
CID 87214020 has a molecular weight of 219.57 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87214020 is sourced from PubChem (CID 87214020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).