methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

C13H32B2O4 — CID 157398146

IUPACmethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESC.C.CB1OC(C)(C)C(C)(C)O1.CB1OCCCO1
InChIInChI=1S/C7H15BO2.C4H9BO2.2CH4/c1-6(2)7(3,4)10-8(5)9-6;1-5-6-3-2-4-7-5;;/h1-5H3;2-4H2,1H3;2*1H4
InChIKeyBMVADFSWKVAHET-UHFFFAOYSA-N
MW274.02 g/mol
LogP3.52
Rot. Bonds

About methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 157398146) has the molecular formula C13H32B2O4 and a molecular weight of 274.02 g/mol. Its IUPAC name is methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namemethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID157398146
Molecular FormulaC13H32B2O4
Molecular Weight274.02 g/mol
Exact Mass274.25
IUPAC Namemethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESC.C.CB1OC(C)(C)C(C)(C)O1.CB1OCCCO1
InChIInChI=1S/C7H15BO2.C4H9BO2.2CH4/c1-6(2)7(3,4)10-8(5)9-6;1-5-6-3-2-4-7-5;;/h1-5H3;2-4H2,1H3;2*1H4
InChIKeyBMVADFSWKVAHET-UHFFFAOYSA-N
XLogP3.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3-Tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
CID 59259707
5,5-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 91344574
2-[2-(2,4,5,5-Tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane
CID 123889351
Dimethoxy(methyl)borane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 143456732
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
CID 143777323
2-Tert-butyl-5,5-dimethyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157132004
2-Tert-butyl-1,3,2-dioxaborinane;2-tert-butyl-1,3,2-dioxaborolane;ethane
CID 157224406
Methane;methoxy(dimethyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157235360
Ethane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157276718
2-Methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157377810
CID 157708394
CID 157708394
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane;2,4,4,6-tetramethyl-1,3,2-dioxaborinane
CID 157738192

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 157398146) is methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
What is the SMILES notation for methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is C.C.CB1OC(C)(C)C(C)(C)O1.CB1OCCCO1.
What is the InChIKey of methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is BMVADFSWKVAHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C4H9BO2.2CH4/c1-6(2)7(3,4)10-8(5)9-6;1-5-6-3-2-4-7-5;;/h1-5H3;2-4H2,1H3;2*1H4.
What are the key properties of methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 274.02 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157398146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).