2-prop-2-enoxyoxaborolane

C6H11BO2 — CID 14665055

IUPAC2-prop-2-enoxyoxaborolane
SMILESC=CCOB1CCCO1
InChIInChI=1S/C6H11BO2/c1-2-5-8-7-4-3-6-9-7/h2H,1,3-6H2
InChIKeyAMLHEKOTAAJONA-UHFFFAOYSA-N
MW125.96 g/mol
LogP1.10
Rot. Bonds3

About 2-prop-2-enoxyoxaborolane

2-prop-2-enoxyoxaborolane (PubChem CID 14665055) has the molecular formula C6H11BO2 and a molecular weight of 125.96 g/mol. Its IUPAC name is 2-prop-2-enoxyoxaborolane.

Molecular Properties

Compound Name2-prop-2-enoxyoxaborolane
PubChem CID14665055
Molecular FormulaC6H11BO2
Molecular Weight125.96 g/mol
Exact Mass126.09
IUPAC Name2-prop-2-enoxyoxaborolane
SMILESC=CCOB1CCCO1
InChIInChI=1S/C6H11BO2/c1-2-5-8-7-4-3-6-9-7/h2H,1,3-6H2
InChIKeyAMLHEKOTAAJONA-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.96
LogP ≤ 51.10
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

Boric acid (H3BO3), tri-2-propen-1-yl ester
CID 62415
2-Prop-2-enyl-1,3,2-dioxaborolane
CID 12566599
Diallylboronic acid
CID 21918803
Diallylboric acid
CID 129801714
Dimethyl allylborate
CID 129817222
1,2-Oxaborol-2(5h)-ol
CID 146020022
Allyldioxaborolane
CID 172645922
2-Prop-2-enyloxaborolane
CID 10942369
2-[(E)-but-2-enyl]-1,3,2-dioxaborolane
CID 12566603
2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane
CID 102409689
2-Butenyl boradioxolane
CID 129674306
Ethyl allylborate
CID 129812959

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyoxaborolane?
The IUPAC name of 2-prop-2-enoxyoxaborolane (CID 14665055) is 2-prop-2-enoxyoxaborolane.
What is the SMILES notation for 2-prop-2-enoxyoxaborolane?
The canonical SMILES for 2-prop-2-enoxyoxaborolane is C=CCOB1CCCO1.
What is the InChIKey of 2-prop-2-enoxyoxaborolane?
The InChIKey is AMLHEKOTAAJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BO2/c1-2-5-8-7-4-3-6-9-7/h2H,1,3-6H2.
What are the key properties of 2-prop-2-enoxyoxaborolane?
2-prop-2-enoxyoxaborolane has a molecular weight of 125.96 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyoxaborolane is sourced from PubChem (CID 14665055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).