CID 171375539

C12H34Cl2OSn2-2 — CID 171375539

IUPAC—
SMILESCC.CC.CCCC.CCCC.O.[Cl-].[Cl-].[Sn].[Sn]
InChIInChI=1S/2C4H10.2C2H6.2ClH.H2O.2Sn/c2*1-3-4-2;2*1-2;;;;;/h2*3-4H2,1-2H3;2*1-2H3;2*1H;1H2;;/p-2
InChIKeyJLKRVUJQBBVPTK-UHFFFAOYSA-L
MW502.73 g/mol
LogP-1.91
Rot. Bonds2

About CID 171375539

CID 171375539 (PubChem CID 171375539) has the molecular formula C12H34Cl2OSn2-2 and a molecular weight of 502.73 g/mol.

Molecular Properties

Compound NameCID 171375539
PubChem CID171375539
Molecular FormulaC12H34Cl2OSn2-2
Molecular Weight502.73 g/mol
Exact Mass504.00
IUPAC Name—
SMILESCC.CC.CCCC.CCCC.O.[Cl-].[Cl-].[Sn].[Sn]
InChIInChI=1S/2C4H10.2C2H6.2ClH.H2O.2Sn/c2*1-3-4-2;2*1-2;;;;;/h2*3-4H2,1-2H3;2*1-2H3;2*1H;1H2;;/p-2
InChIKeyJLKRVUJQBBVPTK-UHFFFAOYSA-L
XLogP-1.91
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.73
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 171375539?
The IUPAC name of CID 171375539 (CID 171375539) is not available.
What is the SMILES notation for CID 171375539?
The canonical SMILES for CID 171375539 is CC.CC.CCCC.CCCC.O.[Cl-].[Cl-].[Sn].[Sn].
What is the InChIKey of CID 171375539?
The InChIKey is JLKRVUJQBBVPTK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H10.2C2H6.2ClH.H2O.2Sn/c2*1-3-4-2;2*1-2;;;;;/h2*3-4H2,1-2H3;2*1-2H3;2*1H;1H2;;/p-2.
What are the key properties of CID 171375539?
CID 171375539 has a molecular weight of 502.73 g/mol, XLogP of -1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375539 is sourced from PubChem (CID 171375539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).