2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol

C11H21BO3 — CID 115027716

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
SMILESCC1(C)OB(C2CCCC2O)OC1(C)C
InChIInChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9(8)13/h8-9,13H,5-7H2,1-4H3
InChIKeyYPEMELVNYSOMRD-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.99
Rot. Bonds1

About 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol (PubChem CID 115027716) has the molecular formula C11H21BO3 and a molecular weight of 212.10 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
PubChem CID115027716
Molecular FormulaC11H21BO3
Molecular Weight212.10 g/mol
Exact Mass212.16
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol
SMILESCC1(C)OB(C2CCCC2O)OC1(C)C
InChIInChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9(8)13/h8-9,13H,5-7H2,1-4H3
InChIKeyYPEMELVNYSOMRD-UHFFFAOYSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-ol
CID 165996009
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 57368686
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
2-Cyclopentyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134970024
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 154712527
4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)heptan-2-ol
CID 154719027
2-(Cyclopentyloxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162415414
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 155738263
2-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol
CID 163939541
(3R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 173745712

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol (CID 115027716) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol is CC1(C)OB(C2CCCC2O)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol?
The InChIKey is YPEMELVNYSOMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)8-6-5-7-9(8)13/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol has a molecular weight of 212.10 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 115027716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).