2-ethyl-1,3,2-dioxaborinan-5-ol

C5H11BO3 — CID 25062375

IUPAC2-ethyl-1,3,2-dioxaborinan-5-ol
SMILESCCB1OCC(O)CO1
InChIInChI=1S/C5H11BO3/c1-2-6-8-3-5(7)4-9-6/h5,7H,2-4H2,1H3
InChIKeyUMYHWQCIHFVEQZ-UHFFFAOYSA-N
MW129.95 g/mol
LogP-0.10
Rot. Bonds1

About 2-ethyl-1,3,2-dioxaborinan-5-ol

2-ethyl-1,3,2-dioxaborinan-5-ol (PubChem CID 25062375) has the molecular formula C5H11BO3 and a molecular weight of 129.95 g/mol. Its IUPAC name is 2-ethyl-1,3,2-dioxaborinan-5-ol.

Molecular Properties

Compound Name2-ethyl-1,3,2-dioxaborinan-5-ol
PubChem CID25062375
Molecular FormulaC5H11BO3
Molecular Weight129.95 g/mol
Exact Mass130.08
IUPAC Name2-ethyl-1,3,2-dioxaborinan-5-ol
SMILESCCB1OCC(O)CO1
InChIInChI=1S/C5H11BO3/c1-2-6-8-3-5(7)4-9-6/h5,7H,2-4H2,1H3
InChIKeyUMYHWQCIHFVEQZ-UHFFFAOYSA-N
XLogP-0.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.95
LogP ≤ 5-0.10
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-ethyl-1,3,2-dioxaborinan-5-ol?
The IUPAC name of 2-ethyl-1,3,2-dioxaborinan-5-ol (CID 25062375) is 2-ethyl-1,3,2-dioxaborinan-5-ol.
What is the SMILES notation for 2-ethyl-1,3,2-dioxaborinan-5-ol?
The canonical SMILES for 2-ethyl-1,3,2-dioxaborinan-5-ol is CCB1OCC(O)CO1.
What is the InChIKey of 2-ethyl-1,3,2-dioxaborinan-5-ol?
The InChIKey is UMYHWQCIHFVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO3/c1-2-6-8-3-5(7)4-9-6/h5,7H,2-4H2,1H3.
What are the key properties of 2-ethyl-1,3,2-dioxaborinan-5-ol?
2-ethyl-1,3,2-dioxaborinan-5-ol has a molecular weight of 129.95 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,2-dioxaborinan-5-ol is sourced from PubChem (CID 25062375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).