methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

C11H32B2O4 — CID 160848454

IUPACmethane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESC.C.C.CB(O)O.CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C7H15BO2.CH5BO2.3CH4/c1-6(2)7(3,4)10-8(5)9-6;1-2(3)4;;;/h1-5H3;3-4H,1H3;3*1H4
InChIKeySIYHKEJEWJVTIT-UHFFFAOYSA-N
MW250.00 g/mol
LogP2.71
Rot. Bonds

About methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 160848454) has the molecular formula C11H32B2O4 and a molecular weight of 250.00 g/mol. Its IUPAC name is methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namemethane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID160848454
Molecular FormulaC11H32B2O4
Molecular Weight250.00 g/mol
Exact Mass250.25
IUPAC Namemethane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESC.C.C.CB(O)O.CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C7H15BO2.CH5BO2.3CH4/c1-6(2)7(3,4)10-8(5)9-6;1-2(3)4;;;/h1-5H3;3-4H,1H3;3*1H4
InChIKeySIYHKEJEWJVTIT-UHFFFAOYSA-N
XLogP2.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.00
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
ethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157276718
2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane
CID 123160464
methane;2,4,6,9,9-pentamethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 160575413
diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-benzodioxaborole;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 160971653
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
CID 59457696
CID 59457696
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
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
CID 166102136
4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-carboxamide
CID 57471748

Frequently Asked Questions

What is the IUPAC name of methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 160848454) is methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
What is the SMILES notation for methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is C.C.C.CB(O)O.CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is SIYHKEJEWJVTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.CH5BO2.3CH4/c1-6(2)7(3,4)10-8(5)9-6;1-2(3)4;;;/h1-5H3;3-4H,1H3;3*1H4.
What are the key properties of methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 250.00 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylboronic acid;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160848454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).