2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2 — CID 10966489

IUPAC2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C14H25BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h12H,1,6-10H2,2-5H3
InChIKeyOMCOUZHMRUKCRO-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.75
Rot. Bonds2

About 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 10966489) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID10966489
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C14H25BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h12H,1,6-10H2,2-5H3
InChIKeyOMCOUZHMRUKCRO-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-cyclohexylethenyl)-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-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 10966489) is 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OMCOUZHMRUKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO2/c1-11(12-9-7-6-8-10-12)15-16-13(2,3)14(4,5)17-15/h12H,1,6-10H2,2-5H3.
What are the key properties of 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10966489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).