5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene

C17H28O3 — CID 123238548

IUPAC5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene
SMILESCOC(C)OCCOC1=CCC(C2CCCCC2)C=C1
InChIInChI=1S/C17H28O3/c1-14(18-2)19-12-13-20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKeyWPEFUVZIWSYOHB-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.05
Rot. Bonds7

About 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene

5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene (PubChem CID 123238548) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene
PubChem CID123238548
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene
SMILESCOC(C)OCCOC1=CCC(C2CCCCC2)C=C1
InChIInChI=1S/C17H28O3/c1-14(18-2)19-12-13-20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
InChIKeyWPEFUVZIWSYOHB-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene 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 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene?
The IUPAC name of 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene (CID 123238548) is 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene?
The canonical SMILES for 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene is COC(C)OCCOC1=CCC(C2CCCCC2)C=C1.
What is the InChIKey of 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene?
The InChIKey is WPEFUVZIWSYOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-14(18-2)19-12-13-20-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3.
What are the key properties of 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene?
5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene has a molecular weight of 280.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[2-(1-methoxyethoxy)ethoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 123238548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).