CID 10950858

C22H36FeSn+2 — CID 10950858

IUPAC—
SMILESCCCC[Sn+](CCCC)CCCC.[C-]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C5H5.C5H4.3C4H9.Fe.Sn/c2*1-2-4-5-3-1;3*1-3-4-2;;/h1-5H;1-4H;3*1,3-4H2,2H3;;/q;-1;;;;+2;+1
InChIKeyNFYKBEFYGMRZLO-UHFFFAOYSA-N
MW475.09 g/mol
LogP6.80
Rot. Bonds9

About CID 10950858

CID 10950858 (PubChem CID 10950858) has the molecular formula C22H36FeSn+2 and a molecular weight of 475.09 g/mol.

Molecular Properties

Compound NameCID 10950858
PubChem CID10950858
Molecular FormulaC22H36FeSn+2
Molecular Weight475.09 g/mol
Exact Mass476.12
IUPAC Name—
SMILESCCCC[Sn+](CCCC)CCCC.[C-]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C5H5.C5H4.3C4H9.Fe.Sn/c2*1-2-4-5-3-1;3*1-3-4-2;;/h1-5H;1-4H;3*1,3-4H2,2H3;;/q;-1;;;;+2;+1
InChIKeyNFYKBEFYGMRZLO-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.09
LogP ≤ 56.80
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 11115366
copper(1+);bis(tributylstannanylium)
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dibutyl(docosyl)stannanylium
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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 10950858?
The IUPAC name of CID 10950858 (CID 10950858) is not available.
What is the SMILES notation for CID 10950858?
The canonical SMILES for CID 10950858 is CCCC[Sn+](CCCC)CCCC.[C-]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10950858?
The InChIKey is NFYKBEFYGMRZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C5H4.3C4H9.Fe.Sn/c2*1-2-4-5-3-1;3*1-3-4-2;;/h1-5H;1-4H;3*1,3-4H2,2H3;;/q;-1;;;;+2;+1.
What are the key properties of CID 10950858?
CID 10950858 has a molecular weight of 475.09 g/mol, XLogP of 6.80, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10950858 is sourced from PubChem (CID 10950858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).