2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H33BO2 — CID 155793252

IUPAC2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)CCC(CCB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C17H33BO2/c1-7-17(8-2)11-9-14(13-17)10-12-18-19-15(3,4)16(5,6)20-18/h14H,7-13H2,1-6H3
InChIKeyIWTZCKLXWUWLRB-UHFFFAOYSA-N
MW280.26 g/mol
LogP5.08
Rot. Bonds5

About 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155793252) has the molecular formula C17H33BO2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155793252
Molecular FormulaC17H33BO2
Molecular Weight280.26 g/mol
Exact Mass280.26
IUPAC Name2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)CCC(CCB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C17H33BO2/c1-7-17(8-2)11-9-14(13-17)10-12-18-19-15(3,4)16(5,6)20-18/h14H,7-13H2,1-6H3
InChIKeyIWTZCKLXWUWLRB-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.08
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-[(3,3-Dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719857
4,4,5,5-Tetramethyl-2-(spiro[3.4]octan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162408040
4,4,5,5-Tetramethyl-2-(3-(2-(3-methylcyclopentyl)propan-2-yl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510819
2-(3-(Cyclopentylmethyl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510867
2-(3,7-Dimethyloctan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176434550
4,4,5,5-Tetramethyl-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3,2-dioxaborolane
CID 176434559
2-(3-Cyclopentylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73995118
CID 89982444
CID 89982444
2-(7-Cyclododecyltridecan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90290302
2-[4-[2-[1,5-Di(propan-2-yl)cyclononyl]propyl]-1,4,7-trimethyl-7-propylcyclononyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91517613
2-(6,6-Dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123515182
4,4,5,5-Tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane
CID 123946794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155793252) is 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC1(CC)CCC(CCB2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IWTZCKLXWUWLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO2/c1-7-17(8-2)11-9-14(13-17)10-12-18-19-15(3,4)16(5,6)20-18/h14H,7-13H2,1-6H3.
What are the key properties of 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.26 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155793252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).