2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H23BO4 — CID 102523511

IUPAC2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1OC
InChIInChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)10-9-12-7-8-13(18-5)14(11-12)19-6/h7-11H,1-6H3/b10-9-
InChIKeyGQVMIFZAIMZTDE-KTKRTIGZSA-N
MW290.17 g/mol
LogP3.35
Rot. Bonds4

About 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102523511) has the molecular formula C16H23BO4 and a molecular weight of 290.17 g/mol. Its IUPAC name is 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102523511
Molecular FormulaC16H23BO4
Molecular Weight290.17 g/mol
Exact Mass290.17
IUPAC Name2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1OC
InChIInChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)10-9-12-7-8-13(18-5)14(11-12)19-6/h7-11H,1-6H3/b10-9-
InChIKeyGQVMIFZAIMZTDE-KTKRTIGZSA-N
XLogP3.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.35
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-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102523511) is 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc(/C=C\B2OC(C)(C)C(C)(C)O2)cc1OC.
What is the InChIKey of 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GQVMIFZAIMZTDE-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)10-9-12-7-8-13(18-5)14(11-12)19-6/h7-11H,1-6H3/b10-9-.
What are the key properties of 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 290.17 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102523511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).