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

C8H17BO2 — CID 91021424

IUPAC4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(C)OB(C)OC1(C)C
InChIInChI=1S/C8H17BO2/c1-6-8(4)7(2,3)10-9(5)11-8/h6H2,1-5H3
InChIKeySFGYGVFFQJUCAP-UHFFFAOYSA-N
MW156.03 g/mol
LogP2.10
Rot. Bonds1

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

4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 91021424) has the molecular formula C8H17BO2 and a molecular weight of 156.03 g/mol. Its IUPAC name is 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID91021424
Molecular FormulaC8H17BO2
Molecular Weight156.03 g/mol
Exact Mass156.13
IUPAC Name4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(C)OB(C)OC1(C)C
InChIInChI=1S/C8H17BO2/c1-6-8(4)7(2,3)10-9(5)11-8/h6H2,1-5H3
InChIKeySFGYGVFFQJUCAP-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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Related Compounds

2-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
2-(Cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15260005
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
4,4,5,5-Tetraethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane
CID 89871084
4,4,5,5-Tetramethyl-2-(1-methylcyclopentyl)-1,3,2-dioxaborolane
CID 167719707
Hexylboronic acid pinacol ester
CID 10921795
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-pentyl-
CID 10987217
4,4,5,5-Tetramethyl-2-(1-methylcyclohexyl)-1,3,2-dioxaborolane
CID 11806311
2-(Butan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 13491258

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 91021424) is 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC1(C)OB(C)OC1(C)C.
What is the InChIKey of 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SFGYGVFFQJUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO2/c1-6-8(4)7(2,3)10-9(5)11-8/h6H2,1-5H3.
What are the key properties of 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane?
4-ethyl-2,4,5,5-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 4-ethyl-2,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 91021424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).