2-prop-2-enyloxaborolane

C6H11BO — CID 10942369

IUPAC2-prop-2-enyloxaborolane
SMILESC=CCB1CCCO1
InChIInChI=1S/C6H11BO/c1-2-4-7-5-3-6-8-7/h2H,1,3-6H2
InChIKeyQOYHBSKZDAVQLP-UHFFFAOYSA-N
MW109.96 g/mol
LogP1.58
Rot. Bonds2

About 2-prop-2-enyloxaborolane

2-prop-2-enyloxaborolane (PubChem CID 10942369) has the molecular formula C6H11BO and a molecular weight of 109.96 g/mol. Its IUPAC name is 2-prop-2-enyloxaborolane.

Molecular Properties

Compound Name2-prop-2-enyloxaborolane
PubChem CID10942369
Molecular FormulaC6H11BO
Molecular Weight109.96 g/mol
Exact Mass110.09
IUPAC Name2-prop-2-enyloxaborolane
SMILESC=CCB1CCCO1
InChIInChI=1S/C6H11BO/c1-2-4-7-5-3-6-8-7/h2H,1,3-6H2
InChIKeyQOYHBSKZDAVQLP-UHFFFAOYSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.96
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloxaborolane?
The IUPAC name of 2-prop-2-enyloxaborolane (CID 10942369) is 2-prop-2-enyloxaborolane.
What is the SMILES notation for 2-prop-2-enyloxaborolane?
The canonical SMILES for 2-prop-2-enyloxaborolane is C=CCB1CCCO1.
What is the InChIKey of 2-prop-2-enyloxaborolane?
The InChIKey is QOYHBSKZDAVQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO/c1-2-4-7-5-3-6-8-7/h2H,1,3-6H2.
What are the key properties of 2-prop-2-enyloxaborolane?
2-prop-2-enyloxaborolane has a molecular weight of 109.96 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloxaborolane is sourced from PubChem (CID 10942369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).