CID 21115733

C7H12Cl3O3Si — CID 21115733

IUPAC—
SMILES[Si]C(OCCCl)(OCCCl)OCCCl
InChIInChI=1S/C7H12Cl3O3Si/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h1-6H2
InChIKeyWMXXWBSGPIOISF-UHFFFAOYSA-N
MW278.62 g/mol
LogP1.53
Rot. Bonds9

About CID 21115733

CID 21115733 (PubChem CID 21115733) has the molecular formula C7H12Cl3O3Si and a molecular weight of 278.62 g/mol.

Molecular Properties

Compound NameCID 21115733
PubChem CID21115733
Molecular FormulaC7H12Cl3O3Si
Molecular Weight278.62 g/mol
Exact Mass276.96
IUPAC Name—
SMILES[Si]C(OCCCl)(OCCCl)OCCCl
InChIInChI=1S/C7H12Cl3O3Si/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h1-6H2
InChIKeyWMXXWBSGPIOISF-UHFFFAOYSA-N
XLogP1.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.62
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 21115733?
The IUPAC name of CID 21115733 (CID 21115733) is not available.
What is the SMILES notation for CID 21115733?
The canonical SMILES for CID 21115733 is [Si]C(OCCCl)(OCCCl)OCCCl.
What is the InChIKey of CID 21115733?
The InChIKey is WMXXWBSGPIOISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl3O3Si/c8-1-4-11-7(14,12-5-2-9)13-6-3-10/h1-6H2.
What are the key properties of CID 21115733?
CID 21115733 has a molecular weight of 278.62 g/mol, XLogP of 1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21115733 is sourced from PubChem (CID 21115733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).