CID 87308187

C8H19Cl2NO2Sn+ — CID 87308187

IUPAC—
SMILESCCCCN(C(C)O)C(C)O.Cl[Sn+]Cl
InChIInChI=1S/C8H19NO2.2ClH.Sn/c1-4-5-6-9(7(2)10)8(3)11;;;/h7-8,10-11H,4-6H2,1-3H3;2*1H;/q;;;+3/p-2
InChIKeyJIPAULOWJUAYCX-UHFFFAOYSA-L
MW350.86 g/mol
LogP1.76
Rot. Bonds5

About CID 87308187

CID 87308187 (PubChem CID 87308187) has the molecular formula C8H19Cl2NO2Sn+ and a molecular weight of 350.86 g/mol.

Molecular Properties

Compound NameCID 87308187
PubChem CID87308187
Molecular FormulaC8H19Cl2NO2Sn+
Molecular Weight350.86 g/mol
Exact Mass350.98
IUPAC Name—
SMILESCCCCN(C(C)O)C(C)O.Cl[Sn+]Cl
InChIInChI=1S/C8H19NO2.2ClH.Sn/c1-4-5-6-9(7(2)10)8(3)11;;;/h7-8,10-11H,4-6H2,1-3H3;2*1H;/q;;;+3/p-2
InChIKeyJIPAULOWJUAYCX-UHFFFAOYSA-L
XLogP1.76
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 87308187?
The IUPAC name of CID 87308187 (CID 87308187) is not available.
What is the SMILES notation for CID 87308187?
The canonical SMILES for CID 87308187 is CCCCN(C(C)O)C(C)O.Cl[Sn+]Cl.
What is the InChIKey of CID 87308187?
The InChIKey is JIPAULOWJUAYCX-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19NO2.2ClH.Sn/c1-4-5-6-9(7(2)10)8(3)11;;;/h7-8,10-11H,4-6H2,1-3H3;2*1H;/q;;;+3/p-2.
What are the key properties of CID 87308187?
CID 87308187 has a molecular weight of 350.86 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87308187 is sourced from PubChem (CID 87308187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).