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

C6H11BO2 — CID 102409689

IUPAC2-[(Z)-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-IHWYPQMZSA-N
MW125.96 g/mol
LogP1.10
Rot. Bonds2

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

2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane (PubChem CID 102409689) has the molecular formula C6H11BO2 and a molecular weight of 125.96 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane
PubChem CID102409689
Molecular FormulaC6H11BO2
Molecular Weight125.96 g/mol
Exact Mass126.09
IUPAC Name2-[(Z)-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-IHWYPQMZSA-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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Related Compounds

2-Allyl-1,3,2-dioxaborolane
CID 12566599
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-en-2-yl]oxy-1,3,2-dioxaborolane
CID 91983525
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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane (CID 102409689) is 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane is C/C=C\CB1OCCO1.
What is the InChIKey of 2-[(Z)-but-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is CFEGCMVCOLZDFQ-IHWYPQMZSA-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-[(Z)-but-2-enyl]-1,3,2-dioxaborolane?
2-[(Z)-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-[(Z)-but-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102409689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).