sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene

C11H21BNNaSi — CID 14024396

IUPACsodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene
SMILESC=C(C)C1=C(CC)B(CC)[N-][Si]1(C)C.[Na+]
InChIInChI=1S/C11H21BNSi.Na/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2;/h3,7-8H2,1-2,4-6H3;/q-1;+1
InChIKeyAVPULZHCUKNBBJ-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.96
Rot. Bonds3

About sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene

sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene (PubChem CID 14024396) has the molecular formula C11H21BNNaSi and a molecular weight of 229.18 g/mol. Its IUPAC name is sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene.

Molecular Properties

Compound Namesodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene
PubChem CID14024396
Molecular FormulaC11H21BNNaSi
Molecular Weight229.18 g/mol
Exact Mass229.14
IUPAC Namesodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene
SMILESC=C(C)C1=C(CC)B(CC)[N-][Si]1(C)C.[Na+]
InChIInChI=1S/C11H21BNSi.Na/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2;/h3,7-8H2,1-2,4-6H3;/q-1;+1
InChIKeyAVPULZHCUKNBBJ-UHFFFAOYSA-N
XLogP0.96
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-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 sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene?
The IUPAC name of sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene (CID 14024396) is sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene.
What is the SMILES notation for sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene?
The canonical SMILES for sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene is C=C(C)C1=C(CC)B(CC)[N-][Si]1(C)C.[Na+].
What is the InChIKey of sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene?
The InChIKey is AVPULZHCUKNBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BNSi.Na/c1-7-10-11(9(3)4)14(5,6)13-12(10)8-2;/h3,7-8H2,1-2,4-6H3;/q-1;+1.
What are the key properties of sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene?
sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene has a molecular weight of 229.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4,5-diethyl-2,2-dimethyl-3-prop-1-en-2-yl-1-azanida-2-sila-5-boracyclopent-3-ene is sourced from PubChem (CID 14024396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).