2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H27BO4 — CID 71172941

IUPAC2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)(C)C(C)(C)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27BO4/c1-10(2,15-9)11(3,4)16-14-17-12(5,6)13(7,8)18-14/h1-9H3
InChIKeyIOKLXWFZJCHSEA-UHFFFAOYSA-N
MW258.17 g/mol
LogP2.80
Rot. Bonds4

About 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 71172941) has the molecular formula C13H27BO4 and a molecular weight of 258.17 g/mol. Its IUPAC name is 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID71172941
Molecular FormulaC13H27BO4
Molecular Weight258.17 g/mol
Exact Mass258.20
IUPAC Name2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)(C)C(C)(C)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27BO4/c1-10(2,15-9)11(3,4)16-14-17-12(5,6)13(7,8)18-14/h1-9H3
InChIKeyIOKLXWFZJCHSEA-UHFFFAOYSA-N
XLogP2.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 52.80
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-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 71172941) is 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(C)(C)C(C)(C)OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IOKLXWFZJCHSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BO4/c1-10(2,15-9)11(3,4)16-14-17-12(5,6)13(7,8)18-14/h1-9H3.
What are the key properties of 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 258.17 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2,3-dimethylbutan-2-yl)oxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 71172941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).