4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

C159H242F6O7 — CID 162290089

About 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene (PubChem CID 162290089) has the molecular formula C159H242F6O7 and a molecular weight of 2379.67 g/mol. Its IUPAC name is 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene.

Molecular Properties

• Compound Name: 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
• PubChem CID: 162290089
• Molecular Formula: C159H242F6O7
• Molecular Weight: 2379.67 g/mol
• Exact Mass: 2377.85
• IUPAC Name: 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
• SMILES: C#CC(CCCCC)Oc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1.CCCCCCC(C)Oc1c(F)cc(-c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)cc1F.CCCCCCC1(C)OC12C(F)CC(C1CCC(C3CCC(CCC)CC3)CC1)CC2F.CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C36H62O2.C33H46F2O.C32H34O2.C29H50F2O.C29H42F2O.4H2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35;1-4-6-8-9-11-25(3)36-31-29(34)23-27(24-30(31)35)26-12-14-28(15-13-26)33-20-17-32(18-21-33,19-22-33)16-10-7-5-2;1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26;1-4-6-7-8-18-28(3)29(32-28)26(30)19-25(20-27(29)31)24-16-14-23(15-17-24)22-12-10-21(9-5-2)11-13-22;1-4-7-8-10-25(6-3)32-27-20-19-26(28(30)29(27)31)24-17-15-23(16-18-24)22-13-11-21(9-5-2)12-14-22;;;;/h17,26-27,29-33H,7-16,18-25H2,1-6H3;12-15,23-25H,4-11,16-22H2,1-3H3;3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3;21-27H,4-20H2,1-3H3;3,19-25H,4-5,7-18H2,1-2H3;4*1H/t27-,29+,30+,31-,32+,33+,35+,36-;;;;;;;;/m1......../s1
• InChIKey: SAPQEXXFOVZFII-ODWFWYPDSA-N
• XLogP: 48.66
• TPSA: 75.75 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 48
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2379.67
LogP ≤ 5	48.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?

The IUPAC name of 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene (CID 162290089) is 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene.

What is the SMILES notation for 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?

The canonical SMILES for 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene is C#CC(CCCCC)Oc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1.CCCCCCC(C)Oc1c(F)cc(-c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)cc1F.CCCCCCC1(C)OC12C(F)CC(C1CCC(C3CCC(CCC)CC3)CC1)CC2F.CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?

The InChIKey is SAPQEXXFOVZFII-ODWFWYPDSA-N. The full InChI is InChI=1S/C36H62O2.C33H46F2O.C32H34O2.C29H50F2O.C29H42F2O.4H2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35;1-4-6-8-9-11-25(3)36-31-29(34)23-27(24-30(31)35)26-12-14-28(15-13-26)33-20-17-32(18-21-33,19-22-33)16-10-7-5-2;1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26;1-4-6-7-8-18-28(3)29(32-28)26(30)19-25(20-27(29)31)24-16-14-23(15-17-24)22-12-10-21(9-5-2)11-13-22;1-4-7-8-10-25(6-3)32-27-20-19-26(28(30)29(27)31)24-17-15-23(16-18-24)22-13-11-21(9-5-2)12-14-22;;;;/h17,26-27,29-33H,7-16,18-25H2,1-6H3;12-15,23-25H,4-11,16-22H2,1-3H3;3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3;21-27H,4-20H2,1-3H3;3,19-25H,4-5,7-18H2,1-2H3;4*1H/t27-,29+,30+,31-,32+,33+,35+,36-;;;;;;;;/m1......../s1.

What are the key properties of 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?

4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene has a molecular weight of 2379.67 g/mol, XLogP of 48.66, 48 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,8-difluoro-2-hexyl-2-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]-1-oxaspiro[2.5]octane;1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-pentylbicyclo[2.2.2]octane;2,3-difluoro-1-oct-1-yn-3-yloxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate;molecular hydrogen;14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene is sourced from PubChem (CID 162290089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).