dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

C10H24B2O4 — CID 143456732

IUPACdimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.COB(C)OC
InChIInChI=1S/C7H15BO2.C3H9BO2/c1-6(2)7(3,4)10-8(5)9-6;1-4(5-2)6-3/h1-5H3;1-3H3
InChIKeyGOQRUUAIKRYIKO-UHFFFAOYSA-N
MW229.92 g/mol
LogP2.11
Rot. Bonds2

About dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 143456732) has the molecular formula C10H24B2O4 and a molecular weight of 229.92 g/mol. Its IUPAC name is dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namedimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID143456732
Molecular FormulaC10H24B2O4
Molecular Weight229.92 g/mol
Exact Mass230.19
IUPAC Namedimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.COB(C)OC
InChIInChI=1S/C7H15BO2.C3H9BO2/c1-6(2)7(3,4)10-8(5)9-6;1-4(5-2)6-3/h1-5H3;1-3H3
InChIKeyGOQRUUAIKRYIKO-UHFFFAOYSA-N
XLogP2.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.92
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 21057643
4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane
CID 24859892
4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
CID 86014281
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727575
2-(2-Methoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221144

Frequently Asked Questions

What is the IUPAC name of dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 143456732) is dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
What is the SMILES notation for dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is CB1OC(C)(C)C(C)(C)O1.COB(C)OC.
What is the InChIKey of dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is GOQRUUAIKRYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C3H9BO2/c1-6(2)7(3,4)10-8(5)9-6;1-4(5-2)6-3/h1-5H3;1-3H3.
What are the key properties of dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 229.92 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 143456732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).