ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate

C25H44O6Si — CID 134832779

About ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate

ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate (PubChem CID 134832779) has the molecular formula C25H44O6Si and a molecular weight of 468.71 g/mol. Its IUPAC name is ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate.

Molecular Properties

• Compound Name: ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
• PubChem CID: 134832779
• Molecular Formula: C25H44O6Si
• Molecular Weight: 468.71 g/mol
• Exact Mass: 468.29
• IUPAC Name: ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
• SMILES: C=C(C[Si](C)(C)C)C(/C=C(\C)CC/C=C(\CCC1OCCCO1)C(=O)OCC)OCOC
• InChI: InChI=1S/C25H44O6Si/c1-8-28-25(26)22(13-14-24-29-15-10-16-30-24)12-9-11-20(2)17-23(31-19-27-4)21(3)18-32(5,6)7/h12,17,23-24H,3,8-11,13-16,18-19H2,1-2,4-7H3/b20-17+,22-12+
• InChIKey: SIGRFHIVVPPBPA-FAORZFOBSA-N
• XLogP: 5.63
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.71
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate?

The IUPAC name of ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate (CID 134832779) is ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate.

What is the SMILES notation for ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate?

The canonical SMILES for ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate is C=C(C[Si](C)(C)C)C(/C=C(\C)CC/C=C(\CCC1OCCCO1)C(=O)OCC)OCOC.

What is the InChIKey of ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate?

The InChIKey is SIGRFHIVVPPBPA-FAORZFOBSA-N. The full InChI is InChI=1S/C25H44O6Si/c1-8-28-25(26)22(13-14-24-29-15-10-16-30-24)12-9-11-20(2)17-23(31-19-27-4)21(3)18-32(5,6)7/h12,17,23-24H,3,8-11,13-16,18-19H2,1-2,4-7H3/b20-17+,22-12+.

What are the key properties of ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate?

ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate has a molecular weight of 468.71 g/mol, XLogP of 5.63, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate is sourced from PubChem (CID 134832779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).