1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane

C26H40F2O2 — CID 142377099

IUPAC1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane
SMILESC=C(OCC1CCCCC1)/C(F)=C(/F)C(=C)OCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C26H40F2O2/c1-19(29-17-21-9-5-3-6-10-21)25(27)26(28)20(2)30-18-22-13-15-24(16-14-22)23-11-7-4-8-12-23/h21-24H,1-18H2/b26-25-
InChIKeyFHEQDUCKFXCVGM-QPLCGJKRSA-N
MW422.60 g/mol
LogP8.16
Rot. Bonds9

About 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane

1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane (PubChem CID 142377099) has the molecular formula C26H40F2O2 and a molecular weight of 422.60 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane
PubChem CID142377099
Molecular FormulaC26H40F2O2
Molecular Weight422.60 g/mol
Exact Mass422.30
IUPAC Name1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane
SMILESC=C(OCC1CCCCC1)/C(F)=C(/F)C(=C)OCC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C26H40F2O2/c1-19(29-17-21-9-5-3-6-10-21)25(27)26(28)20(2)30-18-22-13-15-24(16-14-22)23-11-7-4-8-12-23/h21-24H,1-18H2/b26-25-
InChIKeyFHEQDUCKFXCVGM-QPLCGJKRSA-N
XLogP8.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane 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 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane?
The IUPAC name of 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane (CID 142377099) is 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane is C=C(OCC1CCCCC1)/C(F)=C(/F)C(=C)OCC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane?
The InChIKey is FHEQDUCKFXCVGM-QPLCGJKRSA-N. The full InChI is InChI=1S/C26H40F2O2/c1-19(29-17-21-9-5-3-6-10-21)25(27)26(28)20(2)30-18-22-13-15-24(16-14-22)23-11-7-4-8-12-23/h21-24H,1-18H2/b26-25-.
What are the key properties of 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane?
1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane has a molecular weight of 422.60 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane is sourced from PubChem (CID 142377099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).