2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H19BO2 — CID 46739762

IUPAC2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6H,1,7-8H2,2-5H3
InChIKeyRGCTUSLNTQXCHW-UHFFFAOYSA-N
MW182.07 g/mol
LogP2.65
Rot. Bonds3

About 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 46739762) has the molecular formula C10H19BO2 and a molecular weight of 182.07 g/mol. Its IUPAC name is 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID46739762
Molecular FormulaC10H19BO2
Molecular Weight182.07 g/mol
Exact Mass182.15
IUPAC Name2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6H,1,7-8H2,2-5H3
InChIKeyRGCTUSLNTQXCHW-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.07
LogP ≤ 52.65
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'}

Analyze 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 46739762) is 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RGCTUSLNTQXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6H,1,7-8H2,2-5H3.
What are the key properties of 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 182.07 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 46739762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).