[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane

C15H29BO2Si — CID 102476377

IUPAC[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](/C=C/C=C/B1OCCO1)(C(C)C)C(C)C
InChIInChI=1S/C15H29BO2Si/c1-13(2)19(14(3)4,15(5)6)12-8-7-9-16-17-10-11-18-16/h7-9,12-15H,10-11H2,1-6H3/b9-7+,12-8+
InChIKeyQGPOPTNAFDZZNS-BRVZEXMBSA-N
MW280.29 g/mol
LogP4.39
Rot. Bonds6

About [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane

[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane (PubChem CID 102476377) has the molecular formula C15H29BO2Si and a molecular weight of 280.29 g/mol. Its IUPAC name is [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane
PubChem CID102476377
Molecular FormulaC15H29BO2Si
Molecular Weight280.29 g/mol
Exact Mass280.20
IUPAC Name[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](/C=C/C=C/B1OCCO1)(C(C)C)C(C)C
InChIInChI=1S/C15H29BO2Si/c1-13(2)19(14(3)4,15(5)6)12-8-7-9-16-17-10-11-18-16/h7-9,12-15H,10-11H2,1-6H3/b9-7+,12-8+
InChIKeyQGPOPTNAFDZZNS-BRVZEXMBSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.39
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 [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane?
The IUPAC name of [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane (CID 102476377) is [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane is CC(C)[Si](/C=C/C=C/B1OCCO1)(C(C)C)C(C)C.
What is the InChIKey of [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane?
The InChIKey is QGPOPTNAFDZZNS-BRVZEXMBSA-N. The full InChI is InChI=1S/C15H29BO2Si/c1-13(2)19(14(3)4,15(5)6)12-8-7-9-16-17-10-11-18-16/h7-9,12-15H,10-11H2,1-6H3/b9-7+,12-8+.
What are the key properties of [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane?
[(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane has a molecular weight of 280.29 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-(1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102476377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).