CID 10873014

C22H18FeO2Si+2 — CID 10873014

IUPAC—
SMILES[CH]1[CH][CH][C]([Si](Oc2ccccc2)(Oc2ccccc2)[C]2[CH][CH][CH][CH]2)[CH]1.[Fe+2]
InChIInChI=1S/C22H18O2Si.Fe/c1-3-11-19(12-4-1)23-25(21-15-7-8-16-21,22-17-9-10-18-22)24-20-13-5-2-6-14-20;/h1-18H;/q;+2
InChIKeyBSGPXECYSVXACK-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.47
Rot. Bonds6

About CID 10873014

CID 10873014 (PubChem CID 10873014) has the molecular formula C22H18FeO2Si+2 and a molecular weight of 398.32 g/mol.

Molecular Properties

Compound NameCID 10873014
PubChem CID10873014
Molecular FormulaC22H18FeO2Si+2
Molecular Weight398.32 g/mol
Exact Mass398.04
IUPAC Name—
SMILES[CH]1[CH][CH][C]([Si](Oc2ccccc2)(Oc2ccccc2)[C]2[CH][CH][CH][CH]2)[CH]1.[Fe+2]
InChIInChI=1S/C22H18O2Si.Fe/c1-3-11-19(12-4-1)23-25(21-15-7-8-16-21,22-17-9-10-18-22)24-20-13-5-2-6-14-20;/h1-18H;/q;+2
InChIKeyBSGPXECYSVXACK-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl-[[ethyl(diphenoxy)silyl]methyl]-diphenoxysilane
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Frequently Asked Questions

What is the IUPAC name of CID 10873014?
The IUPAC name of CID 10873014 (CID 10873014) is not available.
What is the SMILES notation for CID 10873014?
The canonical SMILES for CID 10873014 is [CH]1[CH][CH][C]([Si](Oc2ccccc2)(Oc2ccccc2)[C]2[CH][CH][CH][CH]2)[CH]1.[Fe+2].
What is the InChIKey of CID 10873014?
The InChIKey is BSGPXECYSVXACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2Si.Fe/c1-3-11-19(12-4-1)23-25(21-15-7-8-16-21,22-17-9-10-18-22)24-20-13-5-2-6-14-20;/h1-18H;/q;+2.
What are the key properties of CID 10873014?
CID 10873014 has a molecular weight of 398.32 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10873014 is sourced from PubChem (CID 10873014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).