CID 101358677

C15H36Cl4Si2Sn2 — CID 101358677

IUPAC—
SMILES[CH2+]CCCCC[CH2-].[CH2][Si](C)(C)C.[CH2][Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Sn+2].[Sn+2]
InChIInChI=1S/C7H14.2C4H11Si.4ClH.2Sn/c1-3-5-7-6-4-2;2*1-5(2,3)4;;;;;;/h1-7H2;2*1H2,2-4H3;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyNKMKXTUCDFMBIY-UHFFFAOYSA-J
MW651.86 g/mol
LogP-6.74
Rot. Bonds4

About CID 101358677

CID 101358677 (PubChem CID 101358677) has the molecular formula C15H36Cl4Si2Sn2 and a molecular weight of 651.86 g/mol.

Molecular Properties

Compound NameCID 101358677
PubChem CID101358677
Molecular FormulaC15H36Cl4Si2Sn2
Molecular Weight651.86 g/mol
Exact Mass651.92
IUPAC Name—
SMILES[CH2+]CCCCC[CH2-].[CH2][Si](C)(C)C.[CH2][Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Sn+2].[Sn+2]
InChIInChI=1S/C7H14.2C4H11Si.4ClH.2Sn/c1-3-5-7-6-4-2;2*1-5(2,3)4;;;;;;/h1-7H2;2*1H2,2-4H3;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyNKMKXTUCDFMBIY-UHFFFAOYSA-J
XLogP-6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.86
LogP ≤ 5-6.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101358677?
The IUPAC name of CID 101358677 (CID 101358677) is not available.
What is the SMILES notation for CID 101358677?
The canonical SMILES for CID 101358677 is [CH2+]CCCCC[CH2-].[CH2][Si](C)(C)C.[CH2][Si](C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Sn+2].[Sn+2].
What is the InChIKey of CID 101358677?
The InChIKey is NKMKXTUCDFMBIY-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H14.2C4H11Si.4ClH.2Sn/c1-3-5-7-6-4-2;2*1-5(2,3)4;;;;;;/h1-7H2;2*1H2,2-4H3;4*1H;;/q;;;;;;;2*+2/p-4.
What are the key properties of CID 101358677?
CID 101358677 has a molecular weight of 651.86 g/mol, XLogP of -6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101358677 is sourced from PubChem (CID 101358677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).