5,5-Dimethyl-1,3,2-dioxaborinane

C5H10BO2 — CID 10129925

IUPAC—
SMILESCC1(C)CO[B]OC1
InChIInChI=1S/C5H10BO2/c1-5(2)3-7-6-8-4-5/h3-4H2,1-2H3
InChIKeyZOMDNJFVTTXWBX-UHFFFAOYSA-N
MW112.94 g/mol
LogP0.59
Rot. Bonds

About 5,5-Dimethyl-1,3,2-dioxaborinane

5,5-Dimethyl-1,3,2-dioxaborinane (PubChem CID 10129925) has the molecular formula C5H10BO2 and a molecular weight of 112.94 g/mol.

Molecular Properties

Compound Name5,5-Dimethyl-1,3,2-dioxaborinane
PubChem CID10129925
Molecular FormulaC5H10BO2
Molecular Weight112.94 g/mol
Exact Mass113.08
IUPAC Name—
SMILESCC1(C)CO[B]OC1
InChIInChI=1S/C5H10BO2/c1-5(2)3-7-6-8-4-5/h3-4H2,1-2H3
InChIKeyZOMDNJFVTTXWBX-UHFFFAOYSA-N
XLogP0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.94
LogP ≤ 50.59
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-1,3,2-dioxaborinane?
The IUPAC name of 5,5-Dimethyl-1,3,2-dioxaborinane (CID 10129925) is not available.
What is the SMILES notation for 5,5-Dimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 5,5-Dimethyl-1,3,2-dioxaborinane is CC1(C)CO[B]OC1.
What is the InChIKey of 5,5-Dimethyl-1,3,2-dioxaborinane?
The InChIKey is ZOMDNJFVTTXWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BO2/c1-5(2)3-7-6-8-4-5/h3-4H2,1-2H3.
What are the key properties of 5,5-Dimethyl-1,3,2-dioxaborinane?
5,5-Dimethyl-1,3,2-dioxaborinane has a molecular weight of 112.94 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-Dimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 10129925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).