CID 6330354

C11H22Cl3O2Pb — CID 6330354

IUPAC—
SMILESCCC[Pb](CCC)CCC.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/3C3H7.C2HCl3O2.Pb/c3*1-3-2;3-2(4,5)1(6)7;/h3*1,3H2,2H3;(H,6,7);
InChIKeyHYMWLGXLZPNDGX-UHFFFAOYSA-N
MW499.85 g/mol
LogP5.15
Rot. Bonds6

About CID 6330354

CID 6330354 (PubChem CID 6330354) has the molecular formula C11H22Cl3O2Pb and a molecular weight of 499.85 g/mol.

Molecular Properties

Compound NameCID 6330354
PubChem CID6330354
Molecular FormulaC11H22Cl3O2Pb
Molecular Weight499.85 g/mol
Exact Mass499.05
IUPAC Name—
SMILESCCC[Pb](CCC)CCC.O=C(O)C(Cl)(Cl)Cl
InChIInChI=1S/3C3H7.C2HCl3O2.Pb/c3*1-3-2;3-2(4,5)1(6)7;/h3*1,3H2,2H3;(H,6,7);
InChIKeyHYMWLGXLZPNDGX-UHFFFAOYSA-N
XLogP5.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.85
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 6330354?
The IUPAC name of CID 6330354 (CID 6330354) is not available.
What is the SMILES notation for CID 6330354?
The canonical SMILES for CID 6330354 is CCC[Pb](CCC)CCC.O=C(O)C(Cl)(Cl)Cl.
What is the InChIKey of CID 6330354?
The InChIKey is HYMWLGXLZPNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7.C2HCl3O2.Pb/c3*1-3-2;3-2(4,5)1(6)7;/h3*1,3H2,2H3;(H,6,7);.
What are the key properties of CID 6330354?
CID 6330354 has a molecular weight of 499.85 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330354 is sourced from PubChem (CID 6330354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).