CID 11115366

C34H62FeSn2+2 — CID 11115366

IUPAC—
SMILESCCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.[C-]1[CH][CH][CH][CH]1.[C-]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/2C5H4.6C4H9.Fe.2Sn/c2*1-2-4-5-3-1;6*1-3-4-2;;;/h2*1-4H;6*1,3-4H2,2H3;;;/q2*-1;;;;;;;+2;2*+1
InChIKeyCVXHJPFLDSDGMA-UHFFFAOYSA-N
MW764.14 g/mol
LogP11.56
Rot. Bonds18

About CID 11115366

CID 11115366 (PubChem CID 11115366) has the molecular formula C34H62FeSn2+2 and a molecular weight of 764.14 g/mol.

Molecular Properties

Compound NameCID 11115366
PubChem CID11115366
Molecular FormulaC34H62FeSn2+2
Molecular Weight764.14 g/mol
Exact Mass766.22
IUPAC Name—
SMILESCCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.[C-]1[CH][CH][CH][CH]1.[C-]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/2C5H4.6C4H9.Fe.2Sn/c2*1-2-4-5-3-1;6*1-3-4-2;;;/h2*1-4H;6*1,3-4H2,2H3;;;/q2*-1;;;;;;;+2;2*+1
InChIKeyCVXHJPFLDSDGMA-UHFFFAOYSA-N
XLogP11.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.14
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 10950858
copper(1+);bis(tributylstannanylium)
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dibutyl(docosyl)stannanylium
CID 175600993
dibutyl(propyl)stannanylium chloride
CID 23200296
dibutyl(octyl)stannanylium
CID 87200791
dibutyl(octyl)stannanylium chloride
CID 88642054
tri(tetradecyl)stannanylium chloride
CID 88819643
tributylstannanylium formate
CID 22167734
methanolate;trioctylstannanylium
CID 23295104
tributylstannanylium sulfamate
CID 175434161

Frequently Asked Questions

What is the IUPAC name of CID 11115366?
The IUPAC name of CID 11115366 (CID 11115366) is not available.
What is the SMILES notation for CID 11115366?
The canonical SMILES for CID 11115366 is CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.[C-]1[CH][CH][CH][CH]1.[C-]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11115366?
The InChIKey is CVXHJPFLDSDGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4.6C4H9.Fe.2Sn/c2*1-2-4-5-3-1;6*1-3-4-2;;;/h2*1-4H;6*1,3-4H2,2H3;;;/q2*-1;;;;;;;+2;2*+1.
What are the key properties of CID 11115366?
CID 11115366 has a molecular weight of 764.14 g/mol, XLogP of 11.56, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11115366 is sourced from PubChem (CID 11115366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).