dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane

C13H34B4O6 — CID 159012632

IUPACdimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane
SMILESCB(C)O.CB1OCCCO1.CB1OCCO1.CCOB(C)C
InChIInChI=1S/C4H9BO2.C4H11BO.C3H7BO2.C2H7BO/c1-5-6-3-2-4-7-5;1-4-6-5(2)3;1-4-5-2-3-6-4;1-3(2)4/h2-4H2,1H3;4H2,1-3H3;2-3H2,1H3;4H,1-2H3
InChIKeyJSRMIYJROJQPGH-UHFFFAOYSA-N
MW329.66 g/mol
LogP2.20
Rot. Bonds2

About dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane

dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane (PubChem CID 159012632) has the molecular formula C13H34B4O6 and a molecular weight of 329.66 g/mol. Its IUPAC name is dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namedimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane
PubChem CID159012632
Molecular FormulaC13H34B4O6
Molecular Weight329.66 g/mol
Exact Mass330.27
IUPAC Namedimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane
SMILESCB(C)O.CB1OCCCO1.CB1OCCO1.CCOB(C)C
InChIInChI=1S/C4H9BO2.C4H11BO.C3H7BO2.C2H7BO/c1-5-6-3-2-4-7-5;1-4-6-5(2)3;1-4-5-2-3-6-4;1-3(2)4/h2-4H2,1H3;4H2,1-3H3;2-3H2,1H3;4H,1-2H3
InChIKeyJSRMIYJROJQPGH-UHFFFAOYSA-N
XLogP2.20
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.66
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborolane;ethane
CID 157224406
Diethoxy(methyl)borane;2,4-dimethyl-1,3,2-dioxaborolane;methylboronic acid;2-methyl-1,3,2-dioxaborinane
CID 160263742
Dimethylborinic acid;ethoxy(dimethyl)borane;methane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane
CID 160381201

Frequently Asked Questions

What is the IUPAC name of dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?
The IUPAC name of dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane (CID 159012632) is dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane.
What is the SMILES notation for dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?
The canonical SMILES for dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane is CB(C)O.CB1OCCCO1.CB1OCCO1.CCOB(C)C.
What is the InChIKey of dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?
The InChIKey is JSRMIYJROJQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BO2.C4H11BO.C3H7BO2.C2H7BO/c1-5-6-3-2-4-7-5;1-4-6-5(2)3;1-4-5-2-3-6-4;1-3(2)4/h2-4H2,1H3;4H2,1-3H3;2-3H2,1H3;4H,1-2H3.
What are the key properties of dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane?
dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane has a molecular weight of 329.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylborinic acid;ethoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159012632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).