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

C11H21BO2 — CID 13201843

IUPAC2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCC2)OC1(C)C
InChIInChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h9H,5-8H2,1-4H3
InChIKeyBLLUYOVVBCMKHV-UHFFFAOYSA-N
MW196.10 g/mol
LogP3.02
Rot. Bonds1

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

2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 13201843) has the molecular formula C11H21BO2 and a molecular weight of 196.10 g/mol. Its IUPAC name is 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID13201843
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCC2)OC1(C)C
InChIInChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h9H,5-8H2,1-4H3
InChIKeyBLLUYOVVBCMKHV-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 53.02
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
4,4,5,5-Tetramethyl-2-(2-methylpropyl)-1,3,2-dioxaborolane
CID 13491253
2-(Cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15260005
4,4,5,5-Tetramethyl-2-(3-methylbutan-2-yl)-1,3,2-dioxaborolane
CID 86014281
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
Hexylboronic acid pinacol ester
CID 10921795
4,4,5,5-Tetramethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane
CID 20645757
4,4,5,5-Tetramethyl-2-(1-methylcyclopentyl)-1,3,2-dioxaborolane
CID 167719707
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-pentyl-
CID 10987217

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 13201843) is 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CCCC2)OC1(C)C.
What is the InChIKey of 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is BLLUYOVVBCMKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)9-7-5-6-8-9/h9H,5-8H2,1-4H3.
What are the key properties of 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 196.10 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 13201843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).