4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene

C11H24BOSi- — CID 14868953

IUPAC4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
SMILESCCC1=C(C)[Si](C)(C)O[B-]1(CC)CC
InChIInChI=1S/C11H24BOSi/c1-7-11-10(4)14(5,6)13-12(11,8-2)9-3/h7-9H2,1-6H3/q-1
InChIKeyLUAFUKUKDMNGLR-UHFFFAOYSA-N
MW211.21 g/mol
LogP4.01
Rot. Bonds3

About 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene

4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene (PubChem CID 14868953) has the molecular formula C11H24BOSi- and a molecular weight of 211.21 g/mol. Its IUPAC name is 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene.

Molecular Properties

Compound Name4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
PubChem CID14868953
Molecular FormulaC11H24BOSi-
Molecular Weight211.21 g/mol
Exact Mass211.17
IUPAC Name4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene
SMILESCCC1=C(C)[Si](C)(C)O[B-]1(CC)CC
InChIInChI=1S/C11H24BOSi/c1-7-11-10(4)14(5,6)13-12(11,8-2)9-3/h7-9H2,1-6H3/q-1
InChIKeyLUAFUKUKDMNGLR-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
The IUPAC name of 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene (CID 14868953) is 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene.
What is the SMILES notation for 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
The canonical SMILES for 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene is CCC1=C(C)[Si](C)(C)O[B-]1(CC)CC.
What is the InChIKey of 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
The InChIKey is LUAFUKUKDMNGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BOSi/c1-7-11-10(4)14(5,6)13-12(11,8-2)9-3/h7-9H2,1-6H3/q-1.
What are the key properties of 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene?
4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene has a molecular weight of 211.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-triethyl-2,2,3-trimethyl-1-oxa-2-sila-5-boranuidacyclopent-3-ene is sourced from PubChem (CID 14868953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).