3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane

C68H120 — CID 161382402

IUPAC3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane
SMILESCCCC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(CC)CC4)CC2)C3)CC1.CCCCCCCCC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(CCC)CC4)CC2)C3)CC1
InChIInChI=1S/C37H66.C31H54/c1-3-5-6-7-8-9-11-31-14-18-33(19-15-31)35-22-26-37(27-23-35)28-36(29-37)24-20-34(21-25-36)32-16-12-30(10-4-2)13-17-32;1-3-5-25-8-12-27(13-9-25)29-16-20-31(21-17-29)22-30(23-31)18-14-28(15-19-30)26-10-6-24(4-2)7-11-26/h30-35H,3-29H2,1-2H3;24-29H,3-23H2,1-2H3
InChIKeyVRWUSOIBVHMOJA-UHFFFAOYSA-N
MW937.71 g/mol
LogP22.25
Rot. Bonds16

About 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane

3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane (PubChem CID 161382402) has the molecular formula C68H120 and a molecular weight of 937.71 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane
PubChem CID161382402
Molecular FormulaC68H120
Molecular Weight937.71 g/mol
Exact Mass936.94
IUPAC Name3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane
SMILESCCCC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(CC)CC4)CC2)C3)CC1.CCCCCCCCC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(CCC)CC4)CC2)C3)CC1
InChIInChI=1S/C37H66.C31H54/c1-3-5-6-7-8-9-11-31-14-18-33(19-15-31)35-22-26-37(27-23-35)28-36(29-37)24-20-34(21-25-36)32-16-12-30(10-4-2)13-17-32;1-3-5-25-8-12-27(13-9-25)29-16-20-31(21-17-29)22-30(23-31)18-14-28(15-19-30)26-10-6-24(4-2)7-11-26/h30-35H,3-29H2,1-2H3;24-29H,3-23H2,1-2H3
InChIKeyVRWUSOIBVHMOJA-UHFFFAOYSA-N
XLogP22.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.71
LogP ≤ 522.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane 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

3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633672
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
CID 18633775
ethane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;methane
CID 164590716
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-ethyl-4-[4-(5-fluoropentyl)cyclohexyl]cyclohexane
CID 70489412
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane?
The IUPAC name of 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane (CID 161382402) is 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane is CCCC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(CC)CC4)CC2)C3)CC1.CCCCCCCCC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(CCC)CC4)CC2)C3)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane?
The InChIKey is VRWUSOIBVHMOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66.C31H54/c1-3-5-6-7-8-9-11-31-14-18-33(19-15-31)35-22-26-37(27-23-35)28-36(29-37)24-20-34(21-25-36)32-16-12-30(10-4-2)13-17-32;1-3-5-25-8-12-27(13-9-25)29-16-20-31(21-17-29)22-30(23-31)18-14-28(15-19-30)26-10-6-24(4-2)7-11-26/h30-35H,3-29H2,1-2H3;24-29H,3-23H2,1-2H3.
What are the key properties of 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane?
3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane has a molecular weight of 937.71 g/mol, XLogP of 22.25, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 161382402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).