ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate

C25H42O3Si — CID 134903462

About ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate

ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate (PubChem CID 134903462) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate.

Molecular Properties

• Compound Name: ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate
• PubChem CID: 134903462
• Molecular Formula: C25H42O3Si
• Molecular Weight: 418.69 g/mol
• Exact Mass: 418.29
• IUPAC Name: ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate
• SMILES: CCOC(=O)/C=C(C)/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C25H42O3Si/c1-9-27-25(26)20-24(8)18-16-14-12-10-11-13-15-17-19-28-29(21(2)3,22(4)5)23(6)7/h10-16,18,20-23H,9,17,19H2,1-8H3/b11-10+,14-12+,15-13+,18-16+,24-20+
• InChIKey: DLKLYDRPBOKEBI-STLKHUIBSA-N
• XLogP: 7.30
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.69
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate?

The IUPAC name of ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate (CID 134903462) is ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate.

What is the SMILES notation for ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate?

The canonical SMILES for ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate is CCOC(=O)/C=C(C)/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate?

The InChIKey is DLKLYDRPBOKEBI-STLKHUIBSA-N. The full InChI is InChI=1S/C25H42O3Si/c1-9-27-25(26)20-24(8)18-16-14-12-10-11-13-15-17-19-28-29(21(2)3,22(4)5)23(6)7/h10-16,18,20-23H,9,17,19H2,1-8H3/b11-10+,14-12+,15-13+,18-16+,24-20+.

What are the key properties of ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate?

ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate has a molecular weight of 418.69 g/mol, XLogP of 7.30, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate is sourced from PubChem (CID 134903462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).