2-prop-1-enyl-1,3,2-dioxaborolane

C5H9BO2 — CID 53440847

IUPAC2-prop-1-enyl-1,3,2-dioxaborolane
SMILESCC=CB1OCCO1
InChIInChI=1S/C5H9BO2/c1-2-3-6-7-4-5-8-6/h2-3H,4-5H2,1H3
InChIKeyGDDZJJVVGYTGMJ-UHFFFAOYSA-N
MW111.94 g/mol
LogP0.64
Rot. Bonds1

About 2-prop-1-enyl-1,3,2-dioxaborolane

2-prop-1-enyl-1,3,2-dioxaborolane (PubChem CID 53440847) has the molecular formula C5H9BO2 and a molecular weight of 111.94 g/mol. Its IUPAC name is 2-prop-1-enyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-prop-1-enyl-1,3,2-dioxaborolane
PubChem CID53440847
Molecular FormulaC5H9BO2
Molecular Weight111.94 g/mol
Exact Mass112.07
IUPAC Name2-prop-1-enyl-1,3,2-dioxaborolane
SMILESCC=CB1OCCO1
InChIInChI=1S/C5H9BO2/c1-2-3-6-7-4-5-8-6/h2-3H,4-5H2,1H3
InChIKeyGDDZJJVVGYTGMJ-UHFFFAOYSA-N
XLogP0.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.94
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-prop-1-enyl-1,3,2-dioxaborolane?
The IUPAC name of 2-prop-1-enyl-1,3,2-dioxaborolane (CID 53440847) is 2-prop-1-enyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-prop-1-enyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-prop-1-enyl-1,3,2-dioxaborolane is CC=CB1OCCO1.
What is the InChIKey of 2-prop-1-enyl-1,3,2-dioxaborolane?
The InChIKey is GDDZJJVVGYTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BO2/c1-2-3-6-7-4-5-8-6/h2-3H,4-5H2,1H3.
What are the key properties of 2-prop-1-enyl-1,3,2-dioxaborolane?
2-prop-1-enyl-1,3,2-dioxaborolane has a molecular weight of 111.94 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-1,3,2-dioxaborolane is sourced from PubChem (CID 53440847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).