(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane

C159H280O19 — CID 162168906

IUPAC(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane
SMILESC.C.C.C.C.C=C(CCCCCCC)CC[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O
InChIInChI=1S/C24H42O3.C24H40O2.2C23H38O3.C22H36O4.C19H34O2.C19H32O2.5CH4/c1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23(25)22(21)14-11-8-9-12-15-24(26)27;1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23-22(21)14-11-8-9-12-15-24(25)26-23;1-3-4-5-6-9-12-19(24)15-16-20-18(2)17-22-21(20)13-10-7-8-11-14-23(25)26-22;1-3-4-5-6-9-12-18(2)15-16-19-20-13-10-7-8-11-14-23(25)26-22(20)17-21(19)24;1-2-3-4-5-8-11-17(23)14-15-18-19-12-9-6-7-10-13-22(25)26-21(19)16-20(18)24;2*1-4-5-6-7-8-9-14(2)10-11-16-15(3)12-18-17(16)13-19(20)21-18;;;;;/h8,11,20-23,25H,2,4-7,9-10,12-18H2,1,3H3,(H,26,27);8,11,20-23H,2,4-7,9-10,12-18H2,1,3H3;7,10,18,20-22H,3-6,8-9,11-17H2,1-2H3;7,10,19-22,24H,2-6,8-9,11-17H2,1H3;6,9,18-21,24H,2-5,7-8,10-16H2,1H3;15-20H,2,4-13H2,1,3H3;15-18H,2,4-13H2,1,3H3;5*1H4/b;11-8-;2*10-7-;9-6-;;;;;;;/t2*20-,21+,22-,23+;18-,20+,21-,22+;19-,20-,21-,22+;18-,19-,20-,21+;15-,16+,17-,18+,19?;15-,16+,17-,18+;;;;;/m1111111...../s1
InChIKeyZNMZWORWTUDNNN-SKRZONAUSA-N
MW2495.97 g/mol
LogP43.50
Rot. Bonds69

About (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane

(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane (PubChem CID 162168906) has the molecular formula C159H280O19 and a molecular weight of 2495.97 g/mol. Its IUPAC name is (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane.

Molecular Properties

Compound Name(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane
PubChem CID162168906
Molecular FormulaC159H280O19
Molecular Weight2495.97 g/mol
Exact Mass2494.09
IUPAC Name(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane
SMILESC.C.C.C.C.C=C(CCCCCCC)CC[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O
InChIInChI=1S/C24H42O3.C24H40O2.2C23H38O3.C22H36O4.C19H34O2.C19H32O2.5CH4/c1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23(25)22(21)14-11-8-9-12-15-24(26)27;1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23-22(21)14-11-8-9-12-15-24(25)26-23;1-3-4-5-6-9-12-19(24)15-16-20-18(2)17-22-21(20)13-10-7-8-11-14-23(25)26-22;1-3-4-5-6-9-12-18(2)15-16-19-20-13-10-7-8-11-14-23(25)26-22(20)17-21(19)24;1-2-3-4-5-8-11-17(23)14-15-18-19-12-9-6-7-10-13-22(25)26-21(19)16-20(18)24;2*1-4-5-6-7-8-9-14(2)10-11-16-15(3)12-18-17(16)13-19(20)21-18;;;;;/h8,11,20-23,25H,2,4-7,9-10,12-18H2,1,3H3,(H,26,27);8,11,20-23H,2,4-7,9-10,12-18H2,1,3H3;7,10,18,20-22H,3-6,8-9,11-17H2,1-2H3;7,10,19-22,24H,2-6,8-9,11-17H2,1H3;6,9,18-21,24H,2-5,7-8,10-16H2,1H3;15-20H,2,4-13H2,1,3H3;15-18H,2,4-13H2,1,3H3;5*1H4/b;11-8-;2*10-7-;9-6-;;;;;;;/t2*20-,21+,22-,23+;18-,20+,21-,22+;19-,20-,21-,22+;18-,19-,20-,21+;15-,16+,17-,18+,19?;15-,16+,17-,18+;;;;;/m1111111...../s1
InChIKeyZNMZWORWTUDNNN-SKRZONAUSA-N
XLogP43.50
TPSA293.09 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds69
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002495.97
LogP ≤ 543.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane?
The IUPAC name of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane (CID 162168906) is (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane.
What is the SMILES notation for (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane?
The canonical SMILES for (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane is C.C.C.C.C.C=C(CCCCCCC)CC[C@@H]1[C@@H](CC=CCCCC(=O)O)[C@@H](O)C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1C.C=C(CCCCCCC)CC[C@@H]1[C@H]2CC(O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1C.CCCCCCCC(=O)CC[C@@H]1[C@H]2C/C=C\CCCC(=O)O[C@H]2C[C@H]1O.
What is the InChIKey of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane?
The InChIKey is ZNMZWORWTUDNNN-SKRZONAUSA-N. The full InChI is InChI=1S/C24H42O3.C24H40O2.2C23H38O3.C22H36O4.C19H34O2.C19H32O2.5CH4/c1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23(25)22(21)14-11-8-9-12-15-24(26)27;1-4-5-6-7-10-13-19(2)16-17-21-20(3)18-23-22(21)14-11-8-9-12-15-24(25)26-23;1-3-4-5-6-9-12-19(24)15-16-20-18(2)17-22-21(20)13-10-7-8-11-14-23(25)26-22;1-3-4-5-6-9-12-18(2)15-16-19-20-13-10-7-8-11-14-23(25)26-22(20)17-21(19)24;1-2-3-4-5-8-11-17(23)14-15-18-19-12-9-6-7-10-13-22(25)26-21(19)16-20(18)24;2*1-4-5-6-7-8-9-14(2)10-11-16-15(3)12-18-17(16)13-19(20)21-18;;;;;/h8,11,20-23,25H,2,4-7,9-10,12-18H2,1,3H3,(H,26,27);8,11,20-23H,2,4-7,9-10,12-18H2,1,3H3;7,10,18,20-22H,3-6,8-9,11-17H2,1-2H3;7,10,19-22,24H,2-6,8-9,11-17H2,1H3;6,9,18-21,24H,2-5,7-8,10-16H2,1H3;15-20H,2,4-13H2,1,3H3;15-18H,2,4-13H2,1,3H3;5*1H4/b;11-8-;2*10-7-;9-6-;;;;;;;/t2*20-,21+,22-,23+;18-,20+,21-,22+;19-,20-,21-,22+;18-,19-,20-,21+;15-,16+,17-,18+,19?;15-,16+,17-,18+;;;;;/m1111111...../s1.
What are the key properties of (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane?
(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane has a molecular weight of 2495.97 g/mol, XLogP of 43.50, 69 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9R,10R,11aS)-10-hydroxy-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol;(3aR,4S,5R,6aS)-5-methyl-4-(3-methylidenedecyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-methylidenedecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;(6Z,8aR,9S,10R,11aS)-10-methyl-9-(3-oxodecyl)-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one;7-[(1R,2S,3R,5S)-5-hydroxy-3-methyl-2-(3-methylidenedecyl)cyclopentyl]hept-5-enoic acid;methane is sourced from PubChem (CID 162168906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).