2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane

C30H50F2O — CID 20599466

IUPAC2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane
SMILESCCCCCC1CCC(C2CCC(C3CCC(C4CCC(C=C(F)F)OC4)CC3)CC2)CC1
InChIInChI=1S/C30H50F2O/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-19-29(33-21-28)20-30(31)32/h20,22-29H,2-19,21H2,1H3
InChIKeyXODBZARLBRPNSZ-UHFFFAOYSA-N
MW464.73 g/mol
LogP9.56
Rot. Bonds8

About 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane

2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane (PubChem CID 20599466) has the molecular formula C30H50F2O and a molecular weight of 464.73 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane
PubChem CID20599466
Molecular FormulaC30H50F2O
Molecular Weight464.73 g/mol
Exact Mass464.38
IUPAC Name2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane
SMILESCCCCCC1CCC(C2CCC(C3CCC(C4CCC(C=C(F)F)OC4)CC3)CC2)CC1
InChIInChI=1S/C30H50F2O/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-19-29(33-21-28)20-30(31)32/h20,22-29H,2-19,21H2,1H3
InChIKeyXODBZARLBRPNSZ-UHFFFAOYSA-N
XLogP9.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.73
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]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

1-(2,2-Difluoroethenyl)-4-(4-dodecoxycyclohexyl)cyclohexane
CID 19842702
1-(2,2-Difluoroethenyl)-4-(4-ethoxycyclohexyl)cyclohexane
CID 19842730
1-Decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842733
1-Butoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842747
1-(2,2-Difluoroethenyl)-4-(4-propoxycyclohexyl)cyclohexane
CID 19842752
1-(2,2-Difluoroethenyl)-4-(4-pentoxycyclohexyl)cyclohexane
CID 19842753
1-(2,2-Difluoroethenyl)-4-(4-hexoxycyclohexyl)cyclohexane
CID 19842772
1-(2,2-Difluoroethenyl)-4-(4-octoxycyclohexyl)cyclohexane
CID 19842845
1-(2,2-Difluoroethenyl)-4-(4-heptoxycyclohexyl)cyclohexane
CID 19842878
1-(2,2-Difluoroethenyl)-4-(4-undecoxycyclohexyl)cyclohexane
CID 19842897
1-(2,2-Difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane
CID 19842902
2-(2,2-Difluoroethenyl)-5-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]oxane
CID 20599452

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane (CID 20599466) is 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane is CCCCCC1CCC(C2CCC(C3CCC(C4CCC(C=C(F)F)OC4)CC3)CC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane?
The InChIKey is XODBZARLBRPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50F2O/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-19-29(33-21-28)20-30(31)32/h20,22-29H,2-19,21H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane?
2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane has a molecular weight of 464.73 g/mol, XLogP of 9.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]oxane is sourced from PubChem (CID 20599466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).