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

C15H29BO2 — CID 145395479

IUPAC2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CC(CCB2OC(C)(C)C(C)(C)O2)CC1C
InChIInChI=1S/C15H29BO2/c1-11-9-13(10-12(11)2)7-8-16-17-14(3,4)15(5,6)18-16/h11-13H,7-10H2,1-6H3
InChIKeyWKHYANXLJDGIPT-UHFFFAOYSA-N
MW252.21 g/mol
LogP4.15
Rot. Bonds3

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

2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 145395479) has the molecular formula C15H29BO2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID145395479
Molecular FormulaC15H29BO2
Molecular Weight252.21 g/mol
Exact Mass252.23
IUPAC Name2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1CC(CCB2OC(C)(C)C(C)(C)O2)CC1C
InChIInChI=1S/C15H29BO2/c1-11-9-13(10-12(11)2)7-8-16-17-14(3,4)15(5,6)18-16/h11-13H,7-10H2,1-6H3
InChIKeyWKHYANXLJDGIPT-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 54.15
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-(Bicyclo(2.2.1)heptan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 85397476
2-(Cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15260005
rac-2-[(1R,2R)-2-cyclopentylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145912982
4,4,5,5-Tetramethyl-2-(1-methylcyclopentyl)-1,3,2-dioxaborolane
CID 167719707
2-(2-Cyclopentylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134978921
2-[(2S)-2-bicyclo[2.2.1]heptanyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153315413
Bicyclo[2.2.1]heptane-1-boronic Acid Pinacol Ester
CID 156009401
2-(3-Cyclopentyl-1-propyn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56737771
4,4,5,5-Tetramethyl-2-(6-methylheptyl)-1,3,2-dioxaborolane
CID 85790711
4,4,5,5-Tetramethyl-2-(2-methylheptyl)-1,3,2-dioxaborolane
CID 85790715
2-(1-Butylcyclopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 178250432
rel-4,4,5,5-Tetramethyl-2-((1R,2S)-2-methylcyclopentyl)-1,3,2-dioxaborolane
CID 11735952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 145395479) is 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1CC(CCB2OC(C)(C)C(C)(C)O2)CC1C.
What is the InChIKey of 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WKHYANXLJDGIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BO2/c1-11-9-13(10-12(11)2)7-8-16-17-14(3,4)15(5,6)18-16/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 252.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 145395479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).