2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2 — CID 90319037

IUPAC2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC2CC=CCC2)OC1(C)C
InChIInChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-6,12H,7-11H2,1-4H3
InChIKeyUENAAIZMXQEJMV-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.83
Rot. Bonds3

About 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90319037) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90319037
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC2CC=CCC2)OC1(C)C
InChIInChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-6,12H,7-11H2,1-4H3
InChIKeyUENAAIZMXQEJMV-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.83
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-(2-cyclohex-3-en-1-ylethyl)-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-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90319037) is 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CCC2CC=CCC2)OC1(C)C.
What is the InChIKey of 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UENAAIZMXQEJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-6,12H,7-11H2,1-4H3.
What are the key properties of 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohex-3-en-1-ylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90319037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).