2-[(E)-but-2-enyl]-1,3,2-dioxaborolane

C6H11BO2 — CID 12566603

IUPAC2-[(E)-but-2-enyl]-1,3,2-dioxaborolane
SMILESC/C=C/CB1OCCO1
InChIInChI=1S/C6H11BO2/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyCFEGCMVCOLZDFQ-NSCUHMNNSA-N
MW125.96 g/mol
LogP1.10
Rot. Bonds2

About 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane

2-[(E)-but-2-enyl]-1,3,2-dioxaborolane (PubChem CID 12566603) has the molecular formula C6H11BO2 and a molecular weight of 125.96 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-1,3,2-dioxaborolane
PubChem CID12566603
Molecular FormulaC6H11BO2
Molecular Weight125.96 g/mol
Exact Mass126.09
IUPAC Name2-[(E)-but-2-enyl]-1,3,2-dioxaborolane
SMILESC/C=C/CB1OCCO1
InChIInChI=1S/C6H11BO2/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyCFEGCMVCOLZDFQ-NSCUHMNNSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane (CID 12566603) is 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane is C/C=C/CB1OCCO1.
What is the InChIKey of 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is CFEGCMVCOLZDFQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11BO2/c1-2-3-4-7-8-5-6-9-7/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane?
2-[(E)-but-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 125.96 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 12566603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).