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

C18H41B3O5 — CID 158188053

IUPACmethane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
SMILESC.CB1CCCO1.CB1OC(C)(C)C(C)(C)O1.CB1OCC(C)(C)CO1
InChIInChI=1S/C7H15BO2.C6H13BO2.C4H9BO.CH4/c1-6(2)7(3,4)10-8(5)9-6;1-6(2)4-8-7(3)9-5-6;1-5-3-2-4-6-5;/h1-5H3;4-5H2,1-3H3;2-4H2,1H3;1H4
InChIKeyFZJSZBOJQATJDZ-UHFFFAOYSA-N
MW369.96 g/mol
LogP4.55
Rot. Bonds

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

methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane (PubChem CID 158188053) has the molecular formula C18H41B3O5 and a molecular weight of 369.96 g/mol. Its IUPAC name is methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Namemethane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
PubChem CID158188053
Molecular FormulaC18H41B3O5
Molecular Weight369.96 g/mol
Exact Mass370.32
IUPAC Namemethane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
SMILESC.CB1CCCO1.CB1OC(C)(C)C(C)(C)O1.CB1OCC(C)(C)CO1
InChIInChI=1S/C7H15BO2.C6H13BO2.C4H9BO.CH4/c1-6(2)7(3,4)10-8(5)9-6;1-6(2)4-8-7(3)9-5-6;1-5-3-2-4-6-5;/h1-5H3;4-5H2,1-3H3;2-4H2,1H3;1H4
InChIKeyFZJSZBOJQATJDZ-UHFFFAOYSA-N
XLogP4.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 54.55
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

2,2'-(2,2-Dimethylpropane-1,1-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
CID 154712803
5,5-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 139172509
4,4,5,5-Tetramethyl-2-[3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]-1,3,2-dioxaborolane
CID 154713202
2-[2,2-Dimethyl-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154713203
2-[3-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176421604
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
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
Diethoxy(methyl)borane;dimethoxy(methyl)borane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157357489
Dimethylborinic acid;2-methyl-1,3,2-dioxaborinane;2-methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
CID 157367825
2-Methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 157377810

Frequently Asked Questions

What is the IUPAC name of methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?
The IUPAC name of methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane (CID 158188053) is methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?
The canonical SMILES for methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane is C.CB1CCCO1.CB1OC(C)(C)C(C)(C)O1.CB1OCC(C)(C)CO1.
What is the InChIKey of methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?
The InChIKey is FZJSZBOJQATJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C6H13BO2.C4H9BO.CH4/c1-6(2)7(3,4)10-8(5)9-6;1-6(2)4-8-7(3)9-5-6;1-5-3-2-4-6-5;/h1-5H3;4-5H2,1-3H3;2-4H2,1H3;1H4.
What are the key properties of methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane?
methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane has a molecular weight of 369.96 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyloxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 158188053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).