2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H19BO4 — CID 165471050

IUPAC2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)o1
InChIInChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-8-10-6-7-11(15-5)16-10/h6-9H,1-5H3/b9-8+
InChIKeySRVIVKZZGAKDMY-CMDGGOBGSA-N
MW250.10 g/mol
LogP2.93
Rot. Bonds3

About 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 165471050) has the molecular formula C13H19BO4 and a molecular weight of 250.10 g/mol. Its IUPAC name is 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID165471050
Molecular FormulaC13H19BO4
Molecular Weight250.10 g/mol
Exact Mass250.14
IUPAC Name2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)o1
InChIInChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-8-10-6-7-11(15-5)16-10/h6-9H,1-5H3/b9-8+
InChIKeySRVIVKZZGAKDMY-CMDGGOBGSA-N
XLogP2.93
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 165471050) is 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc(/C=C/B2OC(C)(C)C(C)(C)O2)o1.
What is the InChIKey of 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SRVIVKZZGAKDMY-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-8-10-6-7-11(15-5)16-10/h6-9H,1-5H3/b9-8+.
What are the key properties of 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 250.10 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-methoxyfuran-2-yl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 165471050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).