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

C18H44B4O8 — CID 157357489

IUPACdiethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2/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/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3
InChIKeyBIGKGHJJPXUTIN-UHFFFAOYSA-N
MW431.79 g/mol
LogP3.43
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

diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 157357489) has the molecular formula C18H44B4O8 and a molecular weight of 431.79 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.

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
PubChem CID157357489
Molecular FormulaC18H44B4O8
Molecular Weight431.79 g/mol
Exact Mass432.34
IUPAC Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCO1.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2/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/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3
InChIKeyBIGKGHJJPXUTIN-UHFFFAOYSA-N
XLogP3.43
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.79
LogP ≤ 53.43
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?
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 (CID 157357489) is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
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?
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 is CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.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?
The InChIKey is BIGKGHJJPXUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C5H13BO2.C3H7BO2.C3H9BO2/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/h1-5H3;4-5H2,1-3H3;2-3H2,1H3;1-3H3.
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?
diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 431.79 g/mol, XLogP of 3.43, 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 is sourced from PubChem (CID 157357489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).