C206H344F2 — CID 158770701
1-but-3-enyl-4-(4-but-3-enylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-(2,2-difluoroethenyl)-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 158770701) has the molecular formula C206H344F2 and a molecular weight of 2859.01 g/mol. Its IUPAC name is 1-but-3-enyl-4-(4-but-3-enylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-(2,2-difluoroethenyl)-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
| Compound Name | 1-but-3-enyl-4-(4-but-3-enylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-(2,2-difluoroethenyl)-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane |
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| PubChem CID | 158770701 |
| Molecular Formula | C206H344F2 |
| Molecular Weight | 2859.01 g/mol |
| Exact Mass | 2856.69 |
| IUPAC Name | 1-but-3-enyl-4-(4-but-3-enylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-(2,2-difluoroethenyl)-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane |
| SMILES | C/C=C/C1CCC(C2CCC(/C=C/C)CC2)CC1.C/C=C/CCC1CCC(C2CCC(/C=C/C)CC2)CC1.C/C=C/CCC1CCC(C2CCC(CC/C=C/C)CC2)CC1.C=CC1CCC(C2CCC(/C=C/C)CC2)CC1.C=CC1CCC(C2CCC(C=C(F)F)CC2)CC1.C=CC1CCC(C2CCC(C=C)CC2)CC1.C=CC1CCC(C2CCC(CC/C=C/C)CC2)CC1.C=CCCC1CCC(C2CCC(/C=C/C)CC2)CC1.C=CCCC1CCC(C2CCC(C=C)CC2)CC1.C=CCCC1CCC(C2CCC(CC/C=C/C)CC2)CC1.C=CCCC1CCC(C2CCC(CCC=C)CC2)CC1 |
| InChI | InChI=1S/C22H38.C21H36.2C20H34.2C19H32.2C18H30.C17H28.C16H24F2.C16H26/c1-3-5-7-9-19-11-15-21(16-12-19)22-17-13-20(14-18-22)10-8-6-4-2;1-3-5-7-9-19-12-16-21(17-13-19)20-14-10-18(11-15-20)8-6-4-2;1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19;1-3-5-7-17-9-13-19(14-10-17)20-15-11-18(12-16-20)8-6-4-2;1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18;1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18;1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16;1-2-12-3-7-14(8-4-12)15-9-5-13(6-10-15)11-16(17)18;1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3-6,19-22H,7-18H2,1-2H3;3-5,18-21H,2,6-17H2,1H3;3-5,7,17-20H,6,8-16H2,1-2H3;3-4,17-20H,1-2,5-16H2;3-5,16-19H,2,6-15H2,1H3;3-4,6,16-19H,1,5,7-15H2,2H3;3-4,15-18H,1-2,5-14H2;3-6,15-18H,7-14H2,1-2H3;3-5,14-17H,2,6-13H2,1H3;2,11-15H,1,3-10H2;3-4,13-16H,1-2,5-12H2/b5-3+,6-4+;5-3+;5-3+,7-4+;;5-3+;6-4+;;5-3+,6-4+;5-3+;; |
| InChIKey | IPVBORICFWQFLY-XPDMBOHVSA-N |
| XLogP | 66.98 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 53 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2859.01 |
| LogP ≤ 5 | 66.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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