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

C11H24B2O4 — CID 157377810

IUPAC2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCCO1
InChIInChI=1S/C7H15BO2.C4H9BO2/c1-6(2)7(3,4)10-8(5)9-6;1-5-6-3-2-4-7-5/h1-5H3;2-4H2,1H3
InChIKeyBKNCYZQKIYIKPQ-UHFFFAOYSA-N
MW241.93 g/mol
LogP2.25
Rot. Bonds

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

2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 157377810) has the molecular formula C11H24B2O4 and a molecular weight of 241.93 g/mol. Its IUPAC name is 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
PubChem CID157377810
Molecular FormulaC11H24B2O4
Molecular Weight241.93 g/mol
Exact Mass242.19
IUPAC Name2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(C)O1.CB1OCCCO1
InChIInChI=1S/C7H15BO2.C4H9BO2/c1-6(2)7(3,4)10-8(5)9-6;1-5-6-3-2-4-7-5/h1-5H3;2-4H2,1H3
InChIKeyBKNCYZQKIYIKPQ-UHFFFAOYSA-N
XLogP2.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-Dioxan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130067615
2,2,3,3-Tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
CID 59259707
Sodium 2,2,3,3-tetramethyl-1,4,7,10-tetraoxa-5-boranuidaspiro[4.5]decane
CID 87486221
5,5-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 91344574
4,4,5,5-Tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborinane
CID 123380245
Ethoxy-(2-methylbutan-2-yloxy)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
CID 123760802
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
5,5-Dimethyl-2-[2-(2,4,5,5-tetramethyl-1,3,2-dioxaborolan-4-yl)ethyl]-1,3,2-dioxaborinane
CID 143777204
2,4,4,5,5-Pentamethyl-1,3,2-dioxaborolane;2,5,5-trimethyl-1,3,2-dioxaborinane
CID 143777323
2-Methyl-1,3,2-dioxaborolane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
CID 144950357
5,5,6,6-Tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4,2-dioxaborinane
CID 149497607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 157377810) is 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is CB1OC(C)(C)C(C)(C)O1.CB1OCCCO1.
What is the InChIKey of 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
The InChIKey is BKNCYZQKIYIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BO2.C4H9BO2/c1-6(2)7(3,4)10-8(5)9-6;1-5-6-3-2-4-7-5/h1-5H3;2-4H2,1H3.
What are the key properties of 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?
2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 241.93 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2-dioxaborinane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157377810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).