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

C5H9BO2 — CID 12566599

IUPAC2-prop-2-enyl-1,3,2-dioxaborolane
SMILESC=CCB1OCCO1
InChIInChI=1S/C5H9BO2/c1-2-3-6-7-4-5-8-6/h2H,1,3-5H2
InChIKeyBBXVKNMKSBGTHJ-UHFFFAOYSA-N
MW111.94 g/mol
LogP0.71
Rot. Bonds2

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

2-prop-2-enyl-1,3,2-dioxaborolane (PubChem CID 12566599) has the molecular formula C5H9BO2 and a molecular weight of 111.94 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-prop-2-enyl-1,3,2-dioxaborolane
PubChem CID12566599
Molecular FormulaC5H9BO2
Molecular Weight111.94 g/mol
Exact Mass112.07
IUPAC Name2-prop-2-enyl-1,3,2-dioxaborolane
SMILESC=CCB1OCCO1
InChIInChI=1S/C5H9BO2/c1-2-3-6-7-4-5-8-6/h2H,1,3-5H2
InChIKeyBBXVKNMKSBGTHJ-UHFFFAOYSA-N
XLogP0.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.94
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Allyloxy)-1,2-oxaborolane
CID 14665055
Allyldioxaborolane
CID 172645922
2-Prop-2-enyloxaborolane
CID 10942369
2-But-3-en-2-yl-1,3,2-dioxaborolane
CID 12566602
2-[(E)-but-2-enyl]-1,3,2-dioxaborolane
CID 12566603
2-[(E)-pent-1-enyl]-1,3,2-dioxaborolane
CID 15399724
2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane
CID 102409689
2-Butenyl boradioxolane
CID 129674306
2-[(E)-but-1-enyl]-1,3,2-dioxaborolane
CID 134854624
4,5-Dimethyl-2-prop-2-enyl-1,3,2-dioxaborolane
CID 13581037
(4R,5R)-4,5-dimethyl-2-prop-2-enyl-1,3,2-dioxaborolane
CID 13581038
2-(Prop-1-en-1-yl)-1,3,2-dioxaborolane
CID 53440847

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,3,2-dioxaborolane?
The IUPAC name of 2-prop-2-enyl-1,3,2-dioxaborolane (CID 12566599) is 2-prop-2-enyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-prop-2-enyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-prop-2-enyl-1,3,2-dioxaborolane is C=CCB1OCCO1.
What is the InChIKey of 2-prop-2-enyl-1,3,2-dioxaborolane?
The InChIKey is BBXVKNMKSBGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BO2/c1-2-3-6-7-4-5-8-6/h2H,1,3-5H2.
What are the key properties of 2-prop-2-enyl-1,3,2-dioxaborolane?
2-prop-2-enyl-1,3,2-dioxaborolane has a molecular weight of 111.94 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1,3,2-dioxaborolane is sourced from PubChem (CID 12566599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).