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

C24H60B4O8 — CID 158891802

IUPACdiethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCC.CCC.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2.2C3H8/c1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4-5-2-3-6-4;1-4(5-2)6-3;2*1-3-2/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3;2*3H2,1-2H3
InChIKeyJEIFYFBJSBHXAH-UHFFFAOYSA-N
MW519.98 g/mol
LogP6.27
Rot. Bonds6

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

diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane (PubChem CID 158891802) has the molecular formula C24H60B4O8 and a molecular weight of 519.98 g/mol. Its IUPAC name is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane.

Molecular Properties

Compound Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane
PubChem CID158891802
Molecular FormulaC24H60B4O8
Molecular Weight519.98 g/mol
Exact Mass520.47
IUPAC Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCC.CCC.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2.2C3H8/c1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4-5-2-3-6-4;1-4(5-2)6-3;2*1-3-2/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3;2*3H2,1-2H3
InChIKeyJEIFYFBJSBHXAH-UHFFFAOYSA-N
XLogP6.27
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.98
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 132837451
2,2'-(2-Methylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 101876228
2,2'-(2,2-Dimethylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 154712803
4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
CID 13465330
4,4,5,5-Tetramethyl-2-[3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentan-3-yl]-1,3,2-dioxaborolane
CID 101505485
4,4,5,5-Tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane
CID 135079783
Baricitinib Impurity 116
CID 139055184
(S)-2,2'-(Butane-1,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 145722089
2,2'-((2R,3R)-Butane-2,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 145722094
4,4,5,5-tetramethyl-2-[(2S,4S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane
CID 154712093
4,4,5,5-Tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-yl]-1,3,2-dioxaborolane
CID 154713166

Frequently Asked Questions

What is the IUPAC name of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?
The IUPAC name of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane (CID 158891802) is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane.
What is the SMILES notation for diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?
The canonical SMILES for diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane is CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCC.CCC.CCOB(C)OCC.COB(C)OC.
What is the InChIKey of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?
The InChIKey is JEIFYFBJSBHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2.2C3H8/c1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4-5-2-3-6-4;1-4(5-2)6-3;2*1-3-2/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3;2*3H2,1-2H3.
What are the key properties of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane?
diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane has a molecular weight of 519.98 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;propane is sourced from PubChem (CID 158891802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).