2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene

C12H27BOSi — CID 14872843

IUPAC2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
SMILESCCC1=C(C)[Si](C)(CC)[OH+][B-]1(CC)CC
InChIInChI=1S/C12H27BOSi/c1-7-12-11(5)15(6,10-4)14-13(12,8-2)9-3/h14H,7-10H2,1-6H3
InChIKeyCUPIQXMXXCLMNR-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.91
Rot. Bonds4

About 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene

2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene (PubChem CID 14872843) has the molecular formula C12H27BOSi and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene.

Molecular Properties

Compound Name2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
PubChem CID14872843
Molecular FormulaC12H27BOSi
Molecular Weight226.24 g/mol
Exact Mass226.19
IUPAC Name2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
SMILESCCC1=C(C)[Si](C)(CC)[OH+][B-]1(CC)CC
InChIInChI=1S/C12H27BOSi/c1-7-12-11(5)15(6,10-4)14-13(12,8-2)9-3/h14H,7-10H2,1-6H3
InChIKeyCUPIQXMXXCLMNR-UHFFFAOYSA-N
XLogP3.91
TPSA12.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene with MolForge

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Launch Full Analysis

Related Compounds

1-Oxa-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 574206
4,5,5-Triethyl-2,2,3-trimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene
CID 14872838
CID 176440313
CID 176440313
CID 176440314
CID 176440314
1,2,5-Oxasilaborole, 5-tert-butyl-4-ethyl-2,2,3-trimethyl-2,5-dihydro-
CID 592787
1-Oxa-2-sila-5-boracyclopent-3-ene, 2,4,5-triethyl-2,3-dimethyl-
CID 597424
Ether, bis(E-ethyl-2,5-dihydro-2,2,3-trimethyl-1,2,5-oxasilaborol-5-yl)
CID 629479
4,5,5-Triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
CID 14868953
2,4,5,5-Tetraethyl-2,3-dimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
CID 14868957
5-Ethyl-2,2-dimethyl-3-pentan-3-ylidene-1,2,5-oxasilaborolane
CID 101783607

Frequently Asked Questions

What is the IUPAC name of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene?
The IUPAC name of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene (CID 14872843) is 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene.
What is the SMILES notation for 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene?
The canonical SMILES for 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene is CCC1=C(C)[Si](C)(CC)[OH+][B-]1(CC)CC.
What is the InChIKey of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene?
The InChIKey is CUPIQXMXXCLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BOSi/c1-7-12-11(5)15(6,10-4)14-13(12,8-2)9-3/h14H,7-10H2,1-6H3.
What are the key properties of 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene?
2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene has a molecular weight of 226.24 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetraethyl-2,3-dimethyl-1-oxonia-2-sila-5-boranuidacyclopent-3-ene is sourced from PubChem (CID 14872843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).