2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane

C7H15BO3 — CID 15312439

IUPAC2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
SMILESCOB1OC(C)CC(C)(C)O1
InChIInChI=1S/C7H15BO3/c1-6-5-7(2,3)11-8(9-4)10-6/h6H,5H2,1-4H3
InChIKeyKASTZDSYCGXZIB-UHFFFAOYSA-N
MW158.01 g/mol
LogP1.22
Rot. Bonds1

About 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane

2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane (PubChem CID 15312439) has the molecular formula C7H15BO3 and a molecular weight of 158.01 g/mol. Its IUPAC name is 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
PubChem CID15312439
Molecular FormulaC7H15BO3
Molecular Weight158.01 g/mol
Exact Mass158.11
IUPAC Name2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane
SMILESCOB1OC(C)CC(C)(C)O1
InChIInChI=1S/C7H15BO3/c1-6-5-7(2,3)11-8(9-4)10-6/h6H,5H2,1-4H3
InChIKeyKASTZDSYCGXZIB-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.01
LogP ≤ 51.22
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-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane (CID 15312439) is 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane is COB1OC(C)CC(C)(C)O1.
What is the InChIKey of 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane?
The InChIKey is KASTZDSYCGXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO3/c1-6-5-7(2,3)11-8(9-4)10-6/h6H,5H2,1-4H3.
What are the key properties of 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane?
2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane has a molecular weight of 158.01 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,4,6-trimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 15312439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).