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

C8H17BO3 — CID 134128673

IUPAC2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
SMILESCC1(C)OB(CCO)OC1(C)C
InChIInChI=1S/C8H17BO3/c1-7(2)8(3,4)12-9(11-7)5-6-10/h10H,5-6H2,1-4H3
InChIKeyPOYPJPARBFRYSK-UHFFFAOYSA-N
MW172.03 g/mol
LogP1.07
Rot. Bonds2

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

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol (PubChem CID 134128673) has the molecular formula C8H17BO3 and a molecular weight of 172.03 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
PubChem CID134128673
Molecular FormulaC8H17BO3
Molecular Weight172.03 g/mol
Exact Mass172.13
IUPAC Name2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol
SMILESCC1(C)OB(CCO)OC1(C)C
InChIInChI=1S/C8H17BO3/c1-7(2)8(3,4)12-9(11-7)5-6-10/h10H,5-6H2,1-4H3
InChIKeyPOYPJPARBFRYSK-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
The IUPAC name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol (CID 134128673) is 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol is CC1(C)OB(CCO)OC1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
The InChIKey is POYPJPARBFRYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BO3/c1-7(2)8(3,4)12-9(11-7)5-6-10/h10H,5-6H2,1-4H3.
What are the key properties of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol?
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanol has a molecular weight of 172.03 g/mol, XLogP of 1.07, 2 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)ethanol is sourced from PubChem (CID 134128673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).