2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane

C15H26O2 — CID 23317164

IUPAC2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane
SMILESCCCCC1CCC(/C=C/C2OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-16-11-12-17-15/h9-10,13-15H,2-8,11-12H2,1H3/b10-9+
InChIKeyJWADTIGFMDXXOG-MDZDMXLPSA-N
MW238.37 g/mol
LogP3.91
Rot. Bonds5

About 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane

2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane (PubChem CID 23317164) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane
PubChem CID23317164
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane
SMILESCCCCC1CCC(/C=C/C2OCCO2)CC1
InChIInChI=1S/C15H26O2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-16-11-12-17-15/h9-10,13-15H,2-8,11-12H2,1H3/b10-9+
InChIKeyJWADTIGFMDXXOG-MDZDMXLPSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane 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-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane (CID 23317164) is 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane is CCCCC1CCC(/C=C/C2OCCO2)CC1.
What is the InChIKey of 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane?
The InChIKey is JWADTIGFMDXXOG-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-16-11-12-17-15/h9-10,13-15H,2-8,11-12H2,1H3/b10-9+.
What are the key properties of 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane?
2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-butylcyclohexyl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 23317164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).