CID 10462691

C29H66LiO3PSn2 — CID 10462691

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.[CH2-]P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C5H12O3P.6C4H9.Li.2Sn/c1-4-7-9(3,6)8-5-2;6*1-3-4-2;;;/h3-5H2,1-2H3;6*1,3-4H2,2H3;;;/q-1;;;;;;;+1;;
InChIKeyCEXYJJXJUKZNRE-UHFFFAOYSA-N
MW738.18 g/mol
LogP8.81
Rot. Bonds22

About CID 10462691

CID 10462691 (PubChem CID 10462691) has the molecular formula C29H66LiO3PSn2 and a molecular weight of 738.18 g/mol.

Molecular Properties

Compound NameCID 10462691
PubChem CID10462691
Molecular FormulaC29H66LiO3PSn2
Molecular Weight738.18 g/mol
Exact Mass740.30
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.[CH2-]P(=O)(OCC)OCC.[Li+]
InChIInChI=1S/C5H12O3P.6C4H9.Li.2Sn/c1-4-7-9(3,6)8-5-2;6*1-3-4-2;;;/h3-5H2,1-2H3;6*1,3-4H2,2H3;;;/q-1;;;;;;;+1;;
InChIKeyCEXYJJXJUKZNRE-UHFFFAOYSA-N
XLogP8.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.18
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10462691?
The IUPAC name of CID 10462691 (CID 10462691) is not available.
What is the SMILES notation for CID 10462691?
The canonical SMILES for CID 10462691 is CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.[CH2-]P(=O)(OCC)OCC.[Li+].
What is the InChIKey of CID 10462691?
The InChIKey is CEXYJJXJUKZNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3P.6C4H9.Li.2Sn/c1-4-7-9(3,6)8-5-2;6*1-3-4-2;;;/h3-5H2,1-2H3;6*1,3-4H2,2H3;;;/q-1;;;;;;;+1;;.
What are the key properties of CID 10462691?
CID 10462691 has a molecular weight of 738.18 g/mol, XLogP of 8.81, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10462691 is sourced from PubChem (CID 10462691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).