4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole

C12H24BNSi — CID 613520

IUPAC4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole
SMILESC=C(C)C1=C(CC)B(CC)N(C)[Si]1(C)C
InChIInChI=1S/C12H24BNSi/c1-8-11-12(10(3)4)15(6,7)14(5)13(11)9-2/h3,8-9H2,1-2,4-7H3
InChIKeyHVFGQTNXIIRFMH-UHFFFAOYSA-N
MW221.23 g/mol
LogP3.51
Rot. Bonds3

About 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole

4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole (PubChem CID 613520) has the molecular formula C12H24BNSi and a molecular weight of 221.23 g/mol. Its IUPAC name is 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole.

Molecular Properties

Compound Name4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole
PubChem CID613520
Molecular FormulaC12H24BNSi
Molecular Weight221.23 g/mol
Exact Mass221.18
IUPAC Name4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole
SMILESC=C(C)C1=C(CC)B(CC)N(C)[Si]1(C)C
InChIInChI=1S/C12H24BNSi/c1-8-11-12(10(3)4)15(6,7)14(5)13(11)9-2/h3,8-9H2,1-2,4-7H3
InChIKeyHVFGQTNXIIRFMH-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole 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-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole?
The IUPAC name of 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole (CID 613520) is 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole.
What is the SMILES notation for 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole?
The canonical SMILES for 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole is C=C(C)C1=C(CC)B(CC)N(C)[Si]1(C)C.
What is the InChIKey of 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole?
The InChIKey is HVFGQTNXIIRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BNSi/c1-8-11-12(10(3)4)15(6,7)14(5)13(11)9-2/h3,8-9H2,1-2,4-7H3.
What are the key properties of 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole?
4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole has a molecular weight of 221.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2,2-trimethyl-3-prop-1-en-2-yl-1,2,5-azasilaborole is sourced from PubChem (CID 613520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).