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

C17H27BO4 — CID 169243364

IUPAC2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H27BO4/c1-15(2,19-7)12-20-14-10-8-13(9-11-14)18-21-16(3,4)17(5,6)22-18/h8-11H,12H2,1-7H3
InChIKeyANSVLVLUESSUMD-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.79
Rot. Bonds5

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

2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 169243364) has the molecular formula C17H27BO4 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID169243364
Molecular FormulaC17H27BO4
Molecular Weight306.21 g/mol
Exact Mass306.20
IUPAC Name2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C17H27BO4/c1-15(2,19-7)12-20-14-10-8-13(9-11-14)18-21-16(3,4)17(5,6)22-18/h8-11H,12H2,1-7H3
InChIKeyANSVLVLUESSUMD-UHFFFAOYSA-N
XLogP2.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.79
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-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 169243364) is 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(C)(C)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ANSVLVLUESSUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BO4/c1-15(2,19-7)12-20-14-10-8-13(9-11-14)18-21-16(3,4)17(5,6)22-18/h8-11H,12H2,1-7H3.
What are the key properties of 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 306.21 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 169243364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).