CID 6335182

C18H28Cl5OSn — CID 6335182

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O.3C4H9.Sn/c7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-3-4-2;/h12H;3*1,3-4H2,2H3;
InChIKeyBPACRBVQUWBICS-UHFFFAOYSA-N
MW556.40 g/mol
LogP9.54
Rot. Bonds9

About CID 6335182

CID 6335182 (PubChem CID 6335182) has the molecular formula C18H28Cl5OSn and a molecular weight of 556.40 g/mol.

Molecular Properties

Compound NameCID 6335182
PubChem CID6335182
Molecular FormulaC18H28Cl5OSn
Molecular Weight556.40 g/mol
Exact Mass554.96
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O.3C4H9.Sn/c7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-3-4-2;/h12H;3*1,3-4H2,2H3;
InChIKeyBPACRBVQUWBICS-UHFFFAOYSA-N
XLogP9.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.40
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6335182?
The IUPAC name of CID 6335182 (CID 6335182) is not available.
What is the SMILES notation for CID 6335182?
The canonical SMILES for CID 6335182 is CCCC[Sn](CCCC)CCCC.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of CID 6335182?
The InChIKey is BPACRBVQUWBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5O.3C4H9.Sn/c7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-3-4-2;/h12H;3*1,3-4H2,2H3;.
What are the key properties of CID 6335182?
CID 6335182 has a molecular weight of 556.40 g/mol, XLogP of 9.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6335182 is sourced from PubChem (CID 6335182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).