(7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol

C27H33F3O2 — CID 143772621

About (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol

(7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol (PubChem CID 143772621) has the molecular formula C27H33F3O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol.

Molecular Properties

• Compound Name: (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol
• PubChem CID: 143772621
• Molecular Formula: C27H33F3O2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.24
• IUPAC Name: (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol
• SMILES: C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C(\F)C(=C)C(C)CCC(C)O
• InChI: InChI=1S/C27H33F3O2/c1-10-15-32-24(9)27(30)26(29)23(8)19(4)12-11-17(2)20(5)16-25(28)22(7)18(3)13-14-21(6)31/h10-12,16,18,21,31H,1-2,4-5,7-9,13-15H2,3,6H3/b12-11-,25-16+,27-26-
• InChIKey: ZKWLQPCFTOPZJT-FYFXGWDJSA-N
• XLogP: 7.84
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol?

The IUPAC name of (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol (CID 143772621) is (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol.

What is the SMILES notation for (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol?

The canonical SMILES for (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol is C=CCOC(=C)/C(F)=C(\F)C(=C)C(=C)/C=C\C(=C)C(=C)/C=C(\F)C(=C)C(C)CCC(C)O.

What is the InChIKey of (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol?

The InChIKey is ZKWLQPCFTOPZJT-FYFXGWDJSA-N. The full InChI is InChI=1S/C27H33F3O2/c1-10-15-32-24(9)27(30)26(29)23(8)19(4)12-11-17(2)20(5)16-25(28)22(7)18(3)13-14-21(6)31/h10-12,16,18,21,31H,1-2,4-5,7-9,13-15H2,3,6H3/b12-11-,25-16+,27-26-.

What are the key properties of (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol?

(7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol has a molecular weight of 446.55 g/mol, XLogP of 7.84, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-7,11,15,17-tetraen-2-ol is sourced from PubChem (CID 143772621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).