2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H19BO3 — CID 101232654

IUPAC2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCO/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)8-6-7-9-13-5/h6-9H,1-5H3/b8-6+,9-7+
InChIKeyLGPWAELPCVUCFX-CDJQDVQCSA-N
MW210.08 g/mol
LogP2.33
Rot. Bonds3

About 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 101232654) has the molecular formula C11H19BO3 and a molecular weight of 210.08 g/mol. Its IUPAC name is 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID101232654
Molecular FormulaC11H19BO3
Molecular Weight210.08 g/mol
Exact Mass210.14
IUPAC Name2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCO/C=C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)8-6-7-9-13-5/h6-9H,1-5H3/b8-6+,9-7+
InChIKeyLGPWAELPCVUCFX-CDJQDVQCSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 101232654) is 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CO/C=C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LGPWAELPCVUCFX-CDJQDVQCSA-N. The full InChI is InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)8-6-7-9-13-5/h6-9H,1-5H3/b8-6+,9-7+.
What are the key properties of 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 210.08 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-4-methoxybuta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 101232654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).