CID 101153421

C17H38Cl4Sn2 — CID 101153421

IUPAC—
SMILESC.[CH2]CCCCCCC.[CH2]CCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[Sn+2].[Sn+2]
InChIInChI=1S/2C8H17.CH4.4ClH.2Sn/c2*1-3-5-7-8-6-4-2;;;;;;;/h2*1,3-8H2,2H3;1H4;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyWALVKMCWNPDNEC-UHFFFAOYSA-J
MW621.72 g/mol
LogP-5.75
Rot. Bonds10

About CID 101153421

CID 101153421 (PubChem CID 101153421) has the molecular formula C17H38Cl4Sn2 and a molecular weight of 621.72 g/mol.

Molecular Properties

Compound NameCID 101153421
PubChem CID101153421
Molecular FormulaC17H38Cl4Sn2
Molecular Weight621.72 g/mol
Exact Mass621.98
IUPAC Name—
SMILESC.[CH2]CCCCCCC.[CH2]CCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[Sn+2].[Sn+2]
InChIInChI=1S/2C8H17.CH4.4ClH.2Sn/c2*1-3-5-7-8-6-4-2;;;;;;;/h2*1,3-8H2,2H3;1H4;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyWALVKMCWNPDNEC-UHFFFAOYSA-J
XLogP-5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.72
LogP ≤ 5-5.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101153421?
The IUPAC name of CID 101153421 (CID 101153421) is not available.
What is the SMILES notation for CID 101153421?
The canonical SMILES for CID 101153421 is C.[CH2]CCCCCCC.[CH2]CCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[Sn+2].[Sn+2].
What is the InChIKey of CID 101153421?
The InChIKey is WALVKMCWNPDNEC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H17.CH4.4ClH.2Sn/c2*1-3-5-7-8-6-4-2;;;;;;;/h2*1,3-8H2,2H3;1H4;4*1H;;/q;;;;;;;2*+2/p-4.
What are the key properties of CID 101153421?
CID 101153421 has a molecular weight of 621.72 g/mol, XLogP of -5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101153421 is sourced from PubChem (CID 101153421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).