2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane

C25H44F2O3 — CID 143889501

IUPAC2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane
SMILESCC/C(COC1CCC(C2CCC(CC)CC2)OC1)=C(F)\C(F)=C(/C)OC.CCC
InChIInChI=1S/C22H36F2O3.C3H8/c1-5-16-7-9-18(10-8-16)20-12-11-19(14-27-20)26-13-17(6-2)22(24)21(23)15(3)25-4;1-3-2/h16,18-20H,5-14H2,1-4H3;3H2,1-2H3/b21-15-,22-17-;
InChIKeyBNUOTYWWOZZQEW-IJDADGGYSA-N
MW430.62 g/mol
LogP7.66
Rot. Bonds8

About 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane

2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane (PubChem CID 143889501) has the molecular formula C25H44F2O3 and a molecular weight of 430.62 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane
PubChem CID143889501
Molecular FormulaC25H44F2O3
Molecular Weight430.62 g/mol
Exact Mass430.33
IUPAC Name2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane
SMILESCC/C(COC1CCC(C2CCC(CC)CC2)OC1)=C(F)\C(F)=C(/C)OC.CCC
InChIInChI=1S/C22H36F2O3.C3H8/c1-5-16-7-9-18(10-8-16)20-12-11-19(14-27-20)26-13-17(6-2)22(24)21(23)15(3)25-4;1-3-2/h16,18-20H,5-14H2,1-4H3;3H2,1-2H3/b21-15-,22-17-;
InChIKeyBNUOTYWWOZZQEW-IJDADGGYSA-N
XLogP7.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane 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

2-(4-ethenylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane
CID 143889342
2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]-5-(4-propylcyclohexyl)oxane;propane
CID 143889653
5-[4-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]cyclohexyl]-2-pentyloxane
CID 143889369
2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]-5-(4-pentylcyclohexyl)oxane;propane
CID 143889327
2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]-5-(4-pentylcyclohexyl)oxane
CID 143889328
5-ethoxy-2-(4-pentylcyclohexyl)oxane
CID 58620552
5-[4-[[(2Z,4Z)-3,4-difluoro-5-methoxyhexa-2,4-dien-2-yl]oxymethyl]cyclohexyl]-2-ethyloxane
CID 143889724
5-(4-ethenylphenyl)-2-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane
CID 143889630
5-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-2-ethyloxane;ethane
CID 143889332
5-[4-[[(3Z,5Z)-4,5-difluoro-6-methoxyhepta-3,5-dien-3-yl]oxymethyl]cyclohexyl]-2-ethenyloxane
CID 143889373
5-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]butyl]-2-(4-ethylcyclohexyl)oxane
CID 20599964
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane?
The IUPAC name of 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane (CID 143889501) is 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane?
The canonical SMILES for 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane is CC/C(COC1CCC(C2CCC(CC)CC2)OC1)=C(F)\C(F)=C(/C)OC.CCC.
What is the InChIKey of 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane?
The InChIKey is BNUOTYWWOZZQEW-IJDADGGYSA-N. The full InChI is InChI=1S/C22H36F2O3.C3H8/c1-5-16-7-9-18(10-8-16)20-12-11-19(14-27-20)26-13-17(6-2)22(24)21(23)15(3)25-4;1-3-2/h16,18-20H,5-14H2,1-4H3;3H2,1-2H3/b21-15-,22-17-;.
What are the key properties of 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane?
2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane has a molecular weight of 430.62 g/mol, XLogP of 7.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-5-[(2Z,4Z)-2-ethyl-3,4-difluoro-5-methoxyhexa-2,4-dienoxy]oxane;propane is sourced from PubChem (CID 143889501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).