5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

C11H15BO2 — CID 11788741

IUPAC5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
SMILESCC1(C)COB(c2ccccc2)OC1
InChIInChI=1S/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyFQMSNYZDFMWLGC-UHFFFAOYSA-N
MW190.05 g/mol
LogP1.45
Rot. Bonds1

About 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (PubChem CID 11788741) has the molecular formula C11H15BO2 and a molecular weight of 190.05 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
PubChem CID11788741
Molecular FormulaC11H15BO2
Molecular Weight190.05 g/mol
Exact Mass190.12
IUPAC Name5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane
SMILESCC1(C)COB(c2ccccc2)OC1
InChIInChI=1S/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyFQMSNYZDFMWLGC-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane?
The IUPAC name of 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (CID 11788741) is 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane.
What is the SMILES notation for 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane?
The canonical SMILES for 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane is CC1(C)COB(c2ccccc2)OC1.
What is the InChIKey of 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane?
The InChIKey is FQMSNYZDFMWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO2/c1-11(2)8-13-12(14-9-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane?
5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane has a molecular weight of 190.05 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane is sourced from PubChem (CID 11788741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).