C247H430O34 — CID 159017592
(4-butylcyclohexyl)methyl prop-2-enoate;2-butyloctyl prop-2-enoate;(4-butylphenyl)methyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;(4-hexylphenyl)methyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate (PubChem CID 159017592) has the molecular formula C247H430O34 and a molecular weight of 3944.12 g/mol. Its IUPAC name is (4-butylcyclohexyl)methyl prop-2-enoate;2-butyloctyl prop-2-enoate;(4-butylphenyl)methyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;(4-hexylphenyl)methyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate.
| Compound Name | (4-butylcyclohexyl)methyl prop-2-enoate;2-butyloctyl prop-2-enoate;(4-butylphenyl)methyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;(4-hexylphenyl)methyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate |
|---|---|
| PubChem CID | 159017592 |
| Molecular Formula | C247H430O34 |
| Molecular Weight | 3944.12 g/mol |
| Exact Mass | 3941.19 |
| IUPAC Name | (4-butylcyclohexyl)methyl prop-2-enoate;2-butyloctyl prop-2-enoate;(4-butylphenyl)methyl prop-2-enoate;butyl prop-2-enoate;decyl prop-2-enoate;dodecyl prop-2-enoate;2-ethylhexyl prop-2-enoate;(4-heptylcyclohexyl)methyl prop-2-enoate;hexadecyl prop-2-enoate;(4-hexylphenyl)methyl prop-2-enoate;hexyl prop-2-enoate;icosyl prop-2-enoate;(4-octylphenyl)methyl prop-2-enoate;octyl prop-2-enoate;(4-pentylcyclohexyl)methyl prop-2-enoate;2-propylheptyl prop-2-enoate;tetradecyl prop-2-enoate |
| SMILES | C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCC(CCC)CCCCC.C=CC(=O)OCC(CCCC)CCCCCC.C=CC(=O)OCC1CCC(CCCC)CC1.C=CC(=O)OCC1CCC(CCCCC)CC1.C=CC(=O)OCC1CCC(CCCCCCC)CC1.C=CC(=O)OCCCC.C=CC(=O)OCCCCCC.C=CC(=O)OCCCCCCCC.C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCC.C=CC(=O)OCCCCCCCCCCCCCCCCCCCC.C=CC(=O)OCc1ccc(CCCC)cc1.C=CC(=O)OCc1ccc(CCCCCC)cc1.C=CC(=O)OCc1ccc(CCCCCCCC)cc1 |
| InChI | InChI=1S/C23H44O2.C19H36O2.C18H26O2.C17H30O2.C17H32O2.C16H22O2.C15H26O2.2C15H28O2.C14H24O2.C14H18O2.2C13H24O2.2C11H20O2.C9H16O2.C7H12O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(24)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;1-3-5-6-7-8-9-10-16-11-13-17(14-12-16)15-20-18(19)4-2;1-3-5-6-7-8-9-15-10-12-16(13-11-15)14-19-17(18)4-2;1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2;1-3-5-6-7-8-14-9-11-15(12-10-14)13-18-16(17)4-2;1-3-5-6-7-13-8-10-14(11-9-13)12-17-15(16)4-2;1-4-7-9-10-12-14(11-8-5-2)13-17-15(16)6-3;1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2;2*1-3-5-6-12-7-9-13(10-8-12)11-16-14(15)4-2;1-4-7-8-10-12(9-5-2)11-15-13(14)6-3;1-3-5-6-7-8-9-10-11-12-15-13(14)4-2;1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-7-8-9-10-13-11(12)4-2;1-3-5-6-7-8-11-9(10)4-2;1-3-5-6-9-7(8)4-2/h4H,2-3,5-22H2,1H3;4H,2-3,5-18H2,1H3;4,11-14H,2-3,5-10,15H2,1H3;4,15-16H,2-3,5-14H2,1H3;4H,2-3,5-16H2,1H3;4,9-12H,2-3,5-8,13H2,1H3;4,13-14H,2-3,5-12H2,1H3;6,14H,3-5,7-13H2,1-2H3;4H,2-3,5-14H2,1H3;4,12-13H,2-3,5-11H2,1H3;4,7-10H,2-3,5-6,11H2,1H3;6,12H,3-5,7-11H2,1-2H3;4H,2-3,5-12H2,1H3;6,10H,3-5,7-9H2,1-2H3;4H,2-3,5-10H2,1H3;4H,2-3,5-8H2,1H3;4H,2-3,5-6H2,1H3 |
| InChIKey | JTHBRXRYIJZXBR-UHFFFAOYSA-N |
| XLogP | 70.70 |
| TPSA | 447.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 163 |
| Heavy Atoms | 281 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3944.12 |
| LogP ≤ 5 | 70.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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