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

C16H25BO3 — CID 90202741

IUPAC2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C16H25BO3/c1-14(2,18-7)12-8-10-13(11-9-12)17-19-15(3,4)16(5,6)20-17/h8-11H,1-7H3
InChIKeyTTYRUQXGPVXPGK-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.87
Rot. Bonds3

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

2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90202741) has the molecular formula C16H25BO3 and a molecular weight of 276.19 g/mol. Its IUPAC name is 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90202741
Molecular FormulaC16H25BO3
Molecular Weight276.19 g/mol
Exact Mass276.19
IUPAC Name2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C16H25BO3/c1-14(2,18-7)12-8-10-13(11-9-12)17-19-15(3,4)16(5,6)20-17/h8-11H,1-7H3
InChIKeyTTYRUQXGPVXPGK-UHFFFAOYSA-N
XLogP2.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90202741) is 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is TTYRUQXGPVXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BO3/c1-14(2,18-7)12-8-10-13(11-9-12)17-19-15(3,4)16(5,6)20-17/h8-11H,1-7H3.
What are the key properties of 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 276.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90202741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).