2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H23BO4 — CID 140707557

IUPAC2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(OC)c1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-10-8-7-9-11(12)13(17-5)18-6/h7-10,13H,1-6H3
InChIKeyLUTKGTLSRVFTAF-UHFFFAOYSA-N
MW278.16 g/mol
LogP2.28
Rot. Bonds4

About 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140707557) has the molecular formula C15H23BO4 and a molecular weight of 278.16 g/mol. Its IUPAC name is 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID140707557
Molecular FormulaC15H23BO4
Molecular Weight278.16 g/mol
Exact Mass278.17
IUPAC Name2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(OC)c1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-10-8-7-9-11(12)13(17-5)18-6/h7-10,13H,1-6H3
InChIKeyLUTKGTLSRVFTAF-UHFFFAOYSA-N
XLogP2.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140707557) is 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(OC)c1ccccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LUTKGTLSRVFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-10-8-7-9-11(12)13(17-5)18-6/h7-10,13H,1-6H3.
What are the key properties of 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 278.16 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140707557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).