2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C10H17BO2 — CID 11830026

IUPAC2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC(=C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H17BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7H,1-2H2,3-6H3
InChIKeyQUNAOXFLAWNEAA-UHFFFAOYSA-N
MW180.06 g/mol
LogP2.36
Rot. Bonds2

About 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11830026) has the molecular formula C10H17BO2 and a molecular weight of 180.06 g/mol. Its IUPAC name is 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11830026
Molecular FormulaC10H17BO2
Molecular Weight180.06 g/mol
Exact Mass180.13
IUPAC Name2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC(=C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H17BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7H,1-2H2,3-6H3
InChIKeyQUNAOXFLAWNEAA-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.06
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-buta-1,3-dien-2-yl-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-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11830026) is 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC(=C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QUNAOXFLAWNEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BO2/c1-7-8(2)11-12-9(3,4)10(5,6)13-11/h7H,1-2H2,3-6H3.
What are the key properties of 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 180.06 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-dien-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11830026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).