C154H316O — CID 161207911
2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane (PubChem CID 161207911) has the molecular formula C154H316O and a molecular weight of 2184.22 g/mol. Its IUPAC name is 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane.
| Compound Name | 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane |
|---|---|
| PubChem CID | 161207911 |
| Molecular Formula | C154H316O |
| Molecular Weight | 2184.22 g/mol |
| Exact Mass | 2182.47 |
| IUPAC Name | 2-methyldecane;2-methyldodecane;2-methylheptadecane;(Z)-2-methylhexadec-7-ene;2-methyloctadecane;(3Z,6Z,9Z)-17-methyloctadeca-3,6,9-triene;(Z)-17-methyloctadec-9-en-7-ol;2-methyltetradecane;10-propan-2-ylicosane |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCC(C)C.CCCCCCC(O)C/C=C\CCCCCCC(C)C.CCCCCCCC/C=C\CCCCC(C)C.CCCCCCCCC(C)C.CCCCCCCCCCC(C)C.CCCCCCCCCCC(CCCCCCCCC)C(C)C.CCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCC(C)C.CCCCCCCCCCCCCCCCC(C)C |
| InChI | InChI=1S/C23H48.C19H38O.C19H40.C19H34.C18H38.C17H34.C15H32.C13H28.C11H24/c1-5-7-9-11-13-15-17-19-21-23(22(3)4)20-18-16-14-12-10-8-6-2;1-4-5-6-13-16-19(20)17-14-11-9-7-8-10-12-15-18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-4-5-6-7-8-9-10-11-12-13(2)3;1-4-5-6-7-8-9-10-11(2)3/h22-23H,5-21H2,1-4H3;11,14,18-20H,4-10,12-13,15-17H2,1-3H3;19H,4-18H2,1-3H3;5-6,8-9,11-12,19H,4,7,10,13-18H2,1-3H3;18H,4-17H2,1-3H3;11-12,17H,4-10,13-16H2,1-3H3;15H,4-14H2,1-3H3;13H,4-12H2,1-3H3;11H,4-10H2,1-3H3/b;14-11-;;6-5-,9-8-,12-11-;;12-11-;;; |
| InChIKey | UVVSIBNQPDMRRR-WRGAASBBSA-N |
| XLogP | 58.70 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 112 |
| Heavy Atoms | 155 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2184.22 |
| LogP ≤ 5 | 58.70 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|