2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane

C6H11BO3 — CID 91983525

IUPAC2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane
SMILESC/C=C(/C)OB1OCCO1
InChIInChI=1S/C6H11BO3/c1-3-6(2)10-7-8-4-5-9-7/h3H,4-5H2,1-2H3/b6-3-
InChIKeyIVFHUCBEYJTCKI-UTCJRWHESA-N
MW141.96 g/mol
LogP0.96
Rot. Bonds2

About 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane

2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane (PubChem CID 91983525) has the molecular formula C6H11BO3 and a molecular weight of 141.96 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane
PubChem CID91983525
Molecular FormulaC6H11BO3
Molecular Weight141.96 g/mol
Exact Mass142.08
IUPAC Name2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane
SMILESC/C=C(/C)OB1OCCO1
InChIInChI=1S/C6H11BO3/c1-3-6(2)10-7-8-4-5-9-7/h3H,4-5H2,1-2H3/b6-3-
InChIKeyIVFHUCBEYJTCKI-UTCJRWHESA-N
XLogP0.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.96
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane (CID 91983525) is 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane is C/C=C(/C)OB1OCCO1.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
The InChIKey is IVFHUCBEYJTCKI-UTCJRWHESA-N. The full InChI is InChI=1S/C6H11BO3/c1-3-6(2)10-7-8-4-5-9-7/h3H,4-5H2,1-2H3/b6-3-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane has a molecular weight of 141.96 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]oxy-1,3,2-dioxaborolane is sourced from PubChem (CID 91983525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).