[3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane

C21H39BSi3 — CID 135081385

IUPAC[3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane
SMILESC=CCB(CC=C)C1=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C1CC=C
InChIInChI=1S/C21H39BSi3/c1-12-15-18-19(22(16-13-2)17-14-3)21(24(7,8)9)25(10,11)20(18)23(4,5)6/h12-14H,1-3,15-17H2,4-11H3
InChIKeyNEBIRGKOVAFAEX-UHFFFAOYSA-N
MW386.61 g/mol
LogP7.12
Rot. Bonds9

About [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane

[3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane (PubChem CID 135081385) has the molecular formula C21H39BSi3 and a molecular weight of 386.61 g/mol. Its IUPAC name is [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane
PubChem CID135081385
Molecular FormulaC21H39BSi3
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Name[3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane
SMILESC=CCB(CC=C)C1=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C1CC=C
InChIInChI=1S/C21H39BSi3/c1-12-15-18-19(22(16-13-2)17-14-3)21(24(7,8)9)25(10,11)20(18)23(4,5)6/h12-14H,1-3,15-17H2,4-11H3
InChIKeyNEBIRGKOVAFAEX-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane 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 [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane?
The IUPAC name of [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane (CID 135081385) is [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane.
What is the SMILES notation for [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane?
The canonical SMILES for [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane is C=CCB(CC=C)C1=C([Si](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C1CC=C.
What is the InChIKey of [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane?
The InChIKey is NEBIRGKOVAFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39BSi3/c1-12-15-18-19(22(16-13-2)17-14-3)21(24(7,8)9)25(10,11)20(18)23(4,5)6/h12-14H,1-3,15-17H2,4-11H3.
What are the key properties of [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane?
[3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane has a molecular weight of 386.61 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bis(prop-2-enyl)boranyl-1,1-dimethyl-4-prop-2-enyl-5-trimethylsilylsilol-2-yl]-trimethylsilane is sourced from PubChem (CID 135081385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).