2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane

C11H25BO2 — CID 143883669

IUPAC2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
SMILESCCB1OC(C)(C)C(C)(C)O1.CCC
InChIInChI=1S/C8H17BO2.C3H8/c1-6-9-10-7(2,3)8(4,5)11-9;1-3-2/h6H2,1-5H3;3H2,1-2H3
InChIKeyYAXULZUEPLNSJZ-UHFFFAOYSA-N
MW200.13 g/mol
LogP3.51
Rot. Bonds1

About 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane

2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane (PubChem CID 143883669) has the molecular formula C11H25BO2 and a molecular weight of 200.13 g/mol. Its IUPAC name is 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane.

Molecular Properties

Compound Name2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
PubChem CID143883669
Molecular FormulaC11H25BO2
Molecular Weight200.13 g/mol
Exact Mass200.19
IUPAC Name2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
SMILESCCB1OC(C)(C)C(C)(C)O1.CCC
InChIInChI=1S/C8H17BO2.C3H8/c1-6-9-10-7(2,3)8(4,5)11-9;1-3-2/h6H2,1-5H3;3H2,1-2H3
InChIKeyYAXULZUEPLNSJZ-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59759258
2-heptadecyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146165208
propane;4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane
CID 143993405
diethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]borane
CID 86177372
4,4,5,5-tetramethyl-2-undec-2-ynyl-1,3,2-dioxaborolane
CID 15257358
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
2-(3-ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319033
4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 135084480
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 164967588
4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane
CID 155821972

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane?
The IUPAC name of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane (CID 143883669) is 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane.
What is the SMILES notation for 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane?
The canonical SMILES for 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane is CCB1OC(C)(C)C(C)(C)O1.CCC.
What is the InChIKey of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane?
The InChIKey is YAXULZUEPLNSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2.C3H8/c1-6-9-10-7(2,3)8(4,5)11-9;1-3-2/h6H2,1-5H3;3H2,1-2H3.
What are the key properties of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane?
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane has a molecular weight of 200.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane is sourced from PubChem (CID 143883669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).