CID 102062631

C8H18Cl2OSn — CID 102062631

IUPAC—
SMILES[CH2]CCC.[CH2]CCCO.[Cl-].[Cl-].[Sn+2]
InChIInChI=1S/C4H9O.C4H9.2ClH.Sn/c1-2-3-4-5;1-3-4-2;;;/h5H,1-4H2;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyIETRGYIKDUGPQT-UHFFFAOYSA-L
MW319.85 g/mol
LogP-4.16
Rot. Bonds3

About CID 102062631

CID 102062631 (PubChem CID 102062631) has the molecular formula C8H18Cl2OSn and a molecular weight of 319.85 g/mol.

Molecular Properties

Compound NameCID 102062631
PubChem CID102062631
Molecular FormulaC8H18Cl2OSn
Molecular Weight319.85 g/mol
Exact Mass319.98
IUPAC Name—
SMILES[CH2]CCC.[CH2]CCCO.[Cl-].[Cl-].[Sn+2]
InChIInChI=1S/C4H9O.C4H9.2ClH.Sn/c1-2-3-4-5;1-3-4-2;;;/h5H,1-4H2;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
InChIKeyIETRGYIKDUGPQT-UHFFFAOYSA-L
XLogP-4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.85
LogP ≤ 5-4.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102062631?
The IUPAC name of CID 102062631 (CID 102062631) is not available.
What is the SMILES notation for CID 102062631?
The canonical SMILES for CID 102062631 is [CH2]CCC.[CH2]CCCO.[Cl-].[Cl-].[Sn+2].
What is the InChIKey of CID 102062631?
The InChIKey is IETRGYIKDUGPQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9O.C4H9.2ClH.Sn/c1-2-3-4-5;1-3-4-2;;;/h5H,1-4H2;1,3-4H2,2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 102062631?
CID 102062631 has a molecular weight of 319.85 g/mol, XLogP of -4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102062631 is sourced from PubChem (CID 102062631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).