cerium(4+);tetrakis(2,2,6-triethyloxasilinane)

C40H88CeO4Si4+4 — CID 19820853

IUPACcerium(4+);tetrakis(2,2,6-triethyloxasilinane)
SMILESCCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.[Ce+4]
InChIInChI=1S/4C10H22OSi.Ce/c4*1-4-10-8-7-9-12(5-2,6-3)11-10;/h4*10H,4-9H2,1-3H3;/q;;;;+4
InChIKeyJLOYNLIWKKPFHK-UHFFFAOYSA-N
MW885.60 g/mol
LogP14.24
Rot. Bonds12

About cerium(4+);tetrakis(2,2,6-triethyloxasilinane)

cerium(4+);tetrakis(2,2,6-triethyloxasilinane) (PubChem CID 19820853) has the molecular formula C40H88CeO4Si4+4 and a molecular weight of 885.60 g/mol. Its IUPAC name is cerium(4+);tetrakis(2,2,6-triethyloxasilinane).

Molecular Properties

Compound Namecerium(4+);tetrakis(2,2,6-triethyloxasilinane)
PubChem CID19820853
Molecular FormulaC40H88CeO4Si4+4
Molecular Weight885.60 g/mol
Exact Mass884.48
IUPAC Namecerium(4+);tetrakis(2,2,6-triethyloxasilinane)
SMILESCCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.[Ce+4]
InChIInChI=1S/4C10H22OSi.Ce/c4*1-4-10-8-7-9-12(5-2,6-3)11-10;/h4*10H,4-9H2,1-3H3;/q;;;;+4
InChIKeyJLOYNLIWKKPFHK-UHFFFAOYSA-N
XLogP14.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.60
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-methyloxasilinane-2-carbonitrile
CID 18974160
6-ethyl-2-methyl-2-phenyloxasilinane
CID 175093318
2,2,6-triethyl-3,3-dimethyloxadisilinane
CID 175106629
2-(8-ethyloxocan-2-yl)ethanol
CID 14445090
(2R)-2-ethyloxolane
CID 641529
2,2-diethyloxasilolane
CID 139716873
(6-ethyloxan-2-yl)-trimethylsilane
CID 13214712
6-(chloromethyl)-2,2-dimethyloxasilinane
CID 174565435
azane;2-ethyloxolane
CID 174465001
(2R)-2-ethyl-6-methoxyoxane
CID 15250108
2-cyclopropyl-5-ethyloxolane
CID 170980381
ethane;2-ethyl-6-(methoxymethyl)oxane
CID 145297456

Frequently Asked Questions

What is the IUPAC name of cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
The IUPAC name of cerium(4+);tetrakis(2,2,6-triethyloxasilinane) (CID 19820853) is cerium(4+);tetrakis(2,2,6-triethyloxasilinane).
What is the SMILES notation for cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
The canonical SMILES for cerium(4+);tetrakis(2,2,6-triethyloxasilinane) is CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.CCC1CCC[Si](CC)(CC)O1.[Ce+4].
What is the InChIKey of cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
The InChIKey is JLOYNLIWKKPFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H22OSi.Ce/c4*1-4-10-8-7-9-12(5-2,6-3)11-10;/h4*10H,4-9H2,1-3H3;/q;;;;+4.
What are the key properties of cerium(4+);tetrakis(2,2,6-triethyloxasilinane)?
cerium(4+);tetrakis(2,2,6-triethyloxasilinane) has a molecular weight of 885.60 g/mol, XLogP of 14.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(4+);tetrakis(2,2,6-triethyloxasilinane) is sourced from PubChem (CID 19820853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).