2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol

C11H21BO3 — CID 163939541

IUPAC2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol
SMILESCC1(C)OB(C2CC2CCO)OC1(C)C
InChIInChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-7-8(9)5-6-13/h8-9,13H,5-7H2,1-4H3
InChIKeyRPVAHXCXDOWMEK-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.85
Rot. Bonds3

About 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol

2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol (PubChem CID 163939541) has the molecular formula C11H21BO3 and a molecular weight of 212.10 g/mol. Its IUPAC name is 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol
PubChem CID163939541
Molecular FormulaC11H21BO3
Molecular Weight212.10 g/mol
Exact Mass212.16
IUPAC Name2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol
SMILESCC1(C)OB(C2CC2CCO)OC1(C)C
InChIInChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-7-8(9)5-6-13/h8-9,13H,5-7H2,1-4H3
InChIKeyRPVAHXCXDOWMEK-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.85
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

rac-[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methanol
CID 146165741
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-ol
CID 57368686
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 101892485
1-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 134963463
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
(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 154713272
2-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-ol
CID 154713275
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 123813047
4,4,5,5-Tetramethyl-2-[(2-methylcyclopropyl)methoxy]-1,3,2-dioxaborolane
CID 144466506
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-ol
CID 155738263
(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl)methanol
CID 168751985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol?
The IUPAC name of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol (CID 163939541) is 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol?
The canonical SMILES for 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol is CC1(C)OB(C2CC2CCO)OC1(C)C.
What is the InChIKey of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol?
The InChIKey is RPVAHXCXDOWMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-7-8(9)5-6-13/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol?
2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol has a molecular weight of 212.10 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]ethanol is sourced from PubChem (CID 163939541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).