ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate

C30H51FO2Si — CID 10529117

About ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate

ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate (PubChem CID 10529117) has the molecular formula C30H51FO2Si and a molecular weight of 490.82 g/mol. Its IUPAC name is ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate.

Molecular Properties

• Compound Name: ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate
• PubChem CID: 10529117
• Molecular Formula: C30H51FO2Si
• Molecular Weight: 490.82 g/mol
• Exact Mass: 490.36
• IUPAC Name: ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate
• SMILES: C=C(C)C(CC/C(C)=C/CC/C(C)=C/CC/C(F)=C(\C)CC/C=C\C[Si](C)(C)C)C(=O)OCC
• InChI: InChI=1S/C30H51FO2Si/c1-10-33-30(32)28(24(2)3)22-21-26(5)17-14-16-25(4)18-15-20-29(31)27(6)19-12-11-13-23-34(7,8)9/h11,13,17-18,28H,2,10,12,14-16,19-23H2,1,3-9H3/b13-11-,25-18+,26-17+,29-27-
• InChIKey: QOBOXGMWOZHCRE-LWVGTZCGSA-N
• XLogP: 9.89
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.82
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate?

The IUPAC name of ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate (CID 10529117) is ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate.

What is the SMILES notation for ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate?

The canonical SMILES for ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate is C=C(C)C(CC/C(C)=C/CC/C(C)=C/CC/C(F)=C(\C)CC/C=C\C[Si](C)(C)C)C(=O)OCC.

What is the InChIKey of ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate?

The InChIKey is QOBOXGMWOZHCRE-LWVGTZCGSA-N. The full InChI is InChI=1S/C30H51FO2Si/c1-10-33-30(32)28(24(2)3)22-21-26(5)17-14-16-25(4)18-15-20-29(31)27(6)19-12-11-13-23-34(7,8)9/h11,13,17-18,28H,2,10,12,14-16,19-23H2,1,3-9H3/b13-11-,25-18+,26-17+,29-27-.

What are the key properties of ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate?

ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate has a molecular weight of 490.82 g/mol, XLogP of 9.89, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5E,9E,13Z,17Z)-13-fluoro-5,9,14-trimethyl-2-prop-1-en-2-yl-19-trimethylsilylnonadeca-5,9,13,17-tetraenoate is sourced from PubChem (CID 10529117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).