methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

C14H35B3O5 — CID 157235360

IUPACmethane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESC.CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.COB(C)C
InChIInChI=1S/C7H15BO2.C3H7BO2.C3H9BO.CH4/c1-6(2)7(3,4)10-8(5)9-6;1-4-5-2-3-6-4;1-4(2)5-3;/h1-5H3;2-3H2,1H3;1-3H3;1H4
InChIKeyAUOMZYAFUBAWFZ-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.38
Rot. Bonds1

About methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 157235360) has the molecular formula C14H35B3O5 and a molecular weight of 315.87 g/mol. Its IUPAC name is methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namemethane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID157235360
Molecular FormulaC14H35B3O5
Molecular Weight315.87 g/mol
Exact Mass316.28
IUPAC Namemethane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESC.CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.COB(C)C
InChIInChI=1S/C7H15BO2.C3H7BO2.C3H9BO.CH4/c1-6(2)7(3,4)10-8(5)9-6;1-4-5-2-3-6-4;1-4(2)5-3;/h1-5H3;2-3H2,1H3;1-3H3;1H4
InChIKeyAUOMZYAFUBAWFZ-UHFFFAOYSA-N
XLogP3.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Bis(pinacolato)diborane
CID 2733548
4,4,5,5-Tetramethyl-2-((tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-1,3,2-dioxaborolane
CID 11311685
4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane
CID 24859892
4,4,5,5-Tetramethyl-2-(1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)-1,3,2-dioxaborolane
CID 146049519
4,4,5,5-Tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-1,3,2-dioxaborolane
CID 14926002
4,4,5,5-Tetramethyl-2-(1-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)-1,3,2-dioxaborolane
CID 12157934
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
2-(Fluoro(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168448358
4,4,4',4',5,5,5'-Heptamethyl-2,2'-bi(1,3,2-dioxaborolane)
CID 21036220
2-(1,3,2-Dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53906093
2,2'-(Propane-2,2-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 57567774
(4,4',4',5,5,5',5'-Heptamethyl-[2,2'-bi(1,3,2-dioxaborolan)]-4-yl)methylium
CID 58194676

Frequently Asked Questions

What is the IUPAC name of methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 157235360) is methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
What is the SMILES notation for methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is C.CB1OC(C)(C)C(C)(C)O1.CB1OCCO1.COB(C)C.
What is the InChIKey of methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is AUOMZYAFUBAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C3H7BO2.C3H9BO.CH4/c1-6(2)7(3,4)10-8(5)9-6;1-4-5-2-3-6-4;1-4(2)5-3;/h1-5H3;2-3H2,1H3;1-3H3;1H4.
What are the key properties of methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 315.87 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157235360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).