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

C24H48B4O6 — CID 157159821

IUPACdiethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1Cc2ccccc2C1.CB1OC(C)(C)C(C)(C)O1.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C9H11B.C7H15BO2.C5H13BO2.C3H9BO2/c1-10-6-8-4-2-3-5-9(8)7-10;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,6-7H2,1H3;1-5H3;4-5H2,1-3H3;1-3H3
InChIKeyAMFVGXOQZPXFKU-UHFFFAOYSA-N
MW475.89 g/mol
LogP5.27
Rot. Bonds6

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

diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 157159821) has the molecular formula C24H48B4O6 and a molecular weight of 475.89 g/mol. Its IUPAC name is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID157159821
Molecular FormulaC24H48B4O6
Molecular Weight475.89 g/mol
Exact Mass476.38
IUPAC Namediethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1Cc2ccccc2C1.CB1OC(C)(C)C(C)(C)O1.CCOB(C)OCC.COB(C)OC
InChIInChI=1S/C9H11B.C7H15BO2.C5H13BO2.C3H9BO2/c1-10-6-8-4-2-3-5-9(8)7-10;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,6-7H2,1H3;1-5H3;4-5H2,1-3H3;1-3H3
InChIKeyAMFVGXOQZPXFKU-UHFFFAOYSA-N
XLogP5.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 160971653
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
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
2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142219388
2-[2-[3-(methoxymethoxymethyl)pentan-3-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11057161
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
2-[2-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 103693435
1-(2-methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-one
CID 89471908
2,2-bis(methoxymethyl)-4H-chromen-3-one
CID 57163474
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2,3-dihydroindole
CID 154074412
2-(3,4-dihydro-1H-isochromen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174051385

Frequently Asked Questions

What is the IUPAC name of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of 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) is diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;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-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is CB1Cc2ccccc2C1.CB1OC(C)(C)C(C)(C)O1.CCOB(C)OCC.COB(C)OC.
What is the InChIKey of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is AMFVGXOQZPXFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11B.C7H15BO2.C5H13BO2.C3H9BO2/c1-10-6-8-4-2-3-5-9(8)7-10;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,6-7H2,1H3;1-5H3;4-5H2,1-3H3;1-3H3.
What are the key properties of diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 475.89 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3-dihydro-2-benzoborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157159821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).