tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane

C12H23BO2Si — CID 102476378

IUPACtert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)/C=C/C=C/B1OCCO1
InChIInChI=1S/C12H23BO2Si/c1-12(2,3)16(4,5)11-7-6-8-13-14-9-10-15-13/h6-8,11H,9-10H2,1-5H3/b8-6+,11-7+
InChIKeyAOKNLRWWBUMZEN-JMFBPXTISA-N
MW238.21 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane

tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane (PubChem CID 102476378) has the molecular formula C12H23BO2Si and a molecular weight of 238.21 g/mol. Its IUPAC name is tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane
PubChem CID102476378
Molecular FormulaC12H23BO2Si
Molecular Weight238.21 g/mol
Exact Mass238.16
IUPAC Nametert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)/C=C/C=C/B1OCCO1
InChIInChI=1S/C12H23BO2Si/c1-12(2,3)16(4,5)11-7-6-8-13-14-9-10-15-13/h6-8,11H,9-10H2,1-5H3/b8-6+,11-7+
InChIKeyAOKNLRWWBUMZEN-JMFBPXTISA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane (CID 102476378) is tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane is CC(C)(C)[Si](C)(C)/C=C/C=C/B1OCCO1.
What is the InChIKey of tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane?
The InChIKey is AOKNLRWWBUMZEN-JMFBPXTISA-N. The full InChI is InChI=1S/C12H23BO2Si/c1-12(2,3)16(4,5)11-7-6-8-13-14-9-10-15-13/h6-8,11H,9-10H2,1-5H3/b8-6+,11-7+.
What are the key properties of tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane?
tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane has a molecular weight of 238.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-dimethylsilane is sourced from PubChem (CID 102476378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).