5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane

C27H38F2O2 — CID 58021262

IUPAC5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
SMILESC=CC1CCC(C2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3)OC2)CC1
InChIInChI=1S/C27H38F2O2/c1-3-18-5-7-19(8-6-18)22-13-15-24(31-17-22)21-11-9-20(10-12-21)23-14-16-25(30-4-2)27(29)26(23)28/h3,14,16,18-22,24H,1,4-13,15,17H2,2H3
InChIKeyCUXOGULICWSGPR-UHFFFAOYSA-N
MW432.60 g/mol
LogP7.42
Rot. Bonds6

About 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane

5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane (PubChem CID 58021262) has the molecular formula C27H38F2O2 and a molecular weight of 432.60 g/mol. Its IUPAC name is 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane.

Molecular Properties

Compound Name5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
PubChem CID58021262
Molecular FormulaC27H38F2O2
Molecular Weight432.60 g/mol
Exact Mass432.28
IUPAC Name5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
SMILESC=CC1CCC(C2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3)OC2)CC1
InChIInChI=1S/C27H38F2O2/c1-3-18-5-7-19(8-6-18)22-13-15-24(31-17-22)21-11-9-20(10-12-21)23-14-16-25(30-4-2)27(29)26(23)28/h3,14,16,18-22,24H,1,4-13,15,17H2,2H3
InChIKeyCUXOGULICWSGPR-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.60
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane
CID 58021165
5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]-2-(4-prop-1-enylcyclohexyl)oxane
CID 91556430
2-[4-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]cyclohexyl]-5-ethenyloxane
CID 58021450
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
5-(4-ethoxy-2,3-difluorophenyl)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 58021249
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-(6-propyloxan-3-yl)oxane
CID 67968505
(5S)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-5-(4-pentylcyclohexyl)oxane
CID 67957680
[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl] 4-ethenylcyclohexane-1-carboxylate
CID 149417043
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-prop-1-enyloxane
CID 91046335
5-but-3-enyl-2-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]oxane
CID 58021228
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane?
The IUPAC name of 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane (CID 58021262) is 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane.
What is the SMILES notation for 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane?
The canonical SMILES for 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane is C=CC1CCC(C2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3)OC2)CC1.
What is the InChIKey of 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane?
The InChIKey is CUXOGULICWSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F2O2/c1-3-18-5-7-19(8-6-18)22-13-15-24(31-17-22)21-11-9-20(10-12-21)23-14-16-25(30-4-2)27(29)26(23)28/h3,14,16,18-22,24H,1,4-13,15,17H2,2H3.
What are the key properties of 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane?
5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane has a molecular weight of 432.60 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylcyclohexyl)-2-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]oxane is sourced from PubChem (CID 58021262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).