CID 87478640

C4H7Cl3OSi — CID 87478640

IUPAC—
SMILESClCC[Si]OCC(Cl)Cl
InChIInChI=1S/C4H7Cl3OSi/c5-1-2-9-8-3-4(6)7/h4H,1-3H2
InChIKeyHAINWRRQHXXHAO-UHFFFAOYSA-N
MW205.54 g/mol
LogP2.08
Rot. Bonds5

About CID 87478640

CID 87478640 (PubChem CID 87478640) has the molecular formula C4H7Cl3OSi and a molecular weight of 205.54 g/mol.

Molecular Properties

Compound NameCID 87478640
PubChem CID87478640
Molecular FormulaC4H7Cl3OSi
Molecular Weight205.54 g/mol
Exact Mass203.93
IUPAC Name—
SMILESClCC[Si]OCC(Cl)Cl
InChIInChI=1S/C4H7Cl3OSi/c5-1-2-9-8-3-4(6)7/h4H,1-3H2
InChIKeyHAINWRRQHXXHAO-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.54
LogP ≤ 52.08
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 87478640?
The IUPAC name of CID 87478640 (CID 87478640) is not available.
What is the SMILES notation for CID 87478640?
The canonical SMILES for CID 87478640 is ClCC[Si]OCC(Cl)Cl.
What is the InChIKey of CID 87478640?
The InChIKey is HAINWRRQHXXHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl3OSi/c5-1-2-9-8-3-4(6)7/h4H,1-3H2.
What are the key properties of CID 87478640?
CID 87478640 has a molecular weight of 205.54 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87478640 is sourced from PubChem (CID 87478640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).