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

C22H44B4O8 — CID 160971653

IUPACdiethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1Oc2ccccc2O1.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C7H7BO2.C7H15BO2.C5H13BO2.C3H9BO2/c1-8-9-6-4-2-3-5-7(6)10-8;1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4(5-2)6-3/h2-5H,1H3;1-5H3;4-5H2,1-3H3;1-3H3
InChIKeySYIKHFPUZUATIG-UHFFFAOYSA-N
MW479.83 g/mol
LogP4.86
Rot. Bonds6

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

diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 160971653) has the molecular formula C22H44B4O8 and a molecular weight of 479.83 g/mol. Its IUPAC name is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID160971653
Molecular FormulaC22H44B4O8
Molecular Weight479.83 g/mol
Exact Mass480.34
IUPAC Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1Oc2ccccc2O1.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C7H7BO2.C7H15BO2.C5H13BO2.C3H9BO2/c1-8-9-6-4-2-3-5-7(6)10-8;1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4(5-2)6-3/h2-5H,1H3;1-5H3;4-5H2,1-3H3;1-3H3
InChIKeySYIKHFPUZUATIG-UHFFFAOYSA-N
XLogP4.86
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.83
LogP ≤ 54.86
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

diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157159821
2-propan-2-yl-1,3,2-benzodioxaborole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 170582116
methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 160848454
2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79661646
ethane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;bis(spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158278910
ethoxyethane;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene;oxaldehyde
CID 88716262
3-ethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 59515161
2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142219388
5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-benzodioxaborole;propan-2-ylboronic acid;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 161457528
1,5-dimethyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione;ethane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 158569149
4,4,5,5-tetramethyl-2-(1-phenylpropoxy)-1,3,2-dioxaborolane
CID 132609190
4,4,5,5-tetramethyl-2-[(2R)-2-phenylbutyl]-1,3,2-dioxaborolane
CID 54597883

Frequently Asked Questions

What is the IUPAC name of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;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-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 160971653) is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;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-benzodioxaborole;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-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is CB1OC(C)(C)C(C)(C)O1.CB1Oc2ccccc2O1.CCOB(C)OCC.COB(C)OC.
What is the InChIKey of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is SYIKHFPUZUATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO2.C7H15BO2.C5H13BO2.C3H9BO2/c1-8-9-6-4-2-3-5-7(6)10-8;1-6(2)7(3,4)10-8(5)9-6;1-4-7-6(3)8-5-2;1-4(5-2)6-3/h2-5H,1H3;1-5H3;4-5H2,1-3H3;1-3H3.
What are the key properties of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 479.83 g/mol, XLogP of 4.86, 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-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160971653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).