2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

C10H22B2O4 — CID 144950357

IUPAC2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCO1
InChIInChI=1S/C7H15BO2.C3H7BO2/c1-6(2)7(3,4)10-8(5)9-6;1-4-5-2-3-6-4/h1-5H3;2-3H2,1H3
InChIKeyBYUDKAULTWSNKZ-UHFFFAOYSA-N
MW227.91 g/mol
LogP1.86
Rot. Bonds

About 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 144950357) has the molecular formula C10H22B2O4 and a molecular weight of 227.91 g/mol. Its IUPAC name is 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID144950357
Molecular FormulaC10H22B2O4
Molecular Weight227.91 g/mol
Exact Mass228.17
IUPAC Name2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCO1
InChIInChI=1S/C7H15BO2.C3H7BO2/c1-6(2)7(3,4)10-8(5)9-6;1-4-5-2-3-6-4/h1-5H3;2-3H2,1H3
InChIKeyBYUDKAULTWSNKZ-UHFFFAOYSA-N
XLogP1.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.91
LogP ≤ 51.86
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

Bis(pinacolato)diborane
CID 2733548
4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
4,4,5,5-Tetramethyl-2-(oxolan-3-yl)-1,3,2-dioxaborolane
CID 11148297
4,4,5,5-Tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane
CID 11367616
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-(1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)-1,3,2-dioxaborolane
CID 146049519
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
4,4,5,5-Tetramethyl-2-(1-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)-1,3,2-dioxaborolane
CID 12157934
2-[2-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145913531
4,4,5,5-Tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutyl]-1,3,2-dioxaborolane
CID 167726217
2-(Fluoro(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168448358
4,4,4',4',5,5,5'-Heptamethyl-2,2'-bi(1,3,2-dioxaborolane)
CID 21036220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 144950357) is 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.
What is the InChIKey of 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is BYUDKAULTWSNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C3H7BO2/c1-6(2)7(3,4)10-8(5)9-6;1-4-5-2-3-6-4/h1-5H3;2-3H2,1H3.
What are the key properties of 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 227.91 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 144950357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).