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

C8H17BO2 — CID 10942698

IUPAC2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H17BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H2,1-5H3
InChIKeyNPUBDPDASOEIOA-UHFFFAOYSA-N
MW156.03 g/mol
LogP2.10
Rot. Bonds1

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

2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10942698) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10942698
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Name2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H17BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H2,1-5H3
InChIKeyNPUBDPDASOEIOA-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.03
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10942698) is 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NPUBDPDASOEIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-6-9-10-7(2,3)8(4,5)11-9/h6H2,1-5H3.
What are the key properties of 2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 156.03 g/mol, XLogP of 2.10, 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 is sourced from PubChem (CID 10942698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).