[(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane

C22H36O2Si — CID 25107592

About [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane

[(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane (PubChem CID 25107592) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane
• PubChem CID: 25107592
• Molecular Formula: C22H36O2Si
• Molecular Weight: 360.61 g/mol
• Exact Mass: 360.25
• IUPAC Name: [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane
• SMILES: CCC(=C/[C@H](C)CC#C[Si](C)(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1
• InChI: InChI=1S/C22H36O2Si/c1-8-20(17-19(4)11-10-16-25(5,6)7)14-15-21-12-9-13-22(24-21)23-18(2)3/h9,13-15,17-19,21-22H,8,11-12H2,1-7H3/b15-14+,20-17-/t19-,21-,22-/m1/s1
• InChIKey: BGIMUPNIOMDIAH-JYLDUBQOSA-N
• XLogP: 5.88
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.61
LogP ≤ 5	5.88
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane?

The IUPAC name of [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane (CID 25107592) is [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane.

What is the SMILES notation for [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane?

The canonical SMILES for [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane is CCC(=C/[C@H](C)CC#C[Si](C)(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1.

What is the InChIKey of [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane?

The InChIKey is BGIMUPNIOMDIAH-JYLDUBQOSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-8-20(17-19(4)11-10-16-25(5,6)7)14-15-21-12-9-13-22(24-21)23-18(2)3/h9,13-15,17-19,21-22H,8,11-12H2,1-7H3/b15-14+,20-17-/t19-,21-,22-/m1/s1.

What are the key properties of [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane?

[(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane has a molecular weight of 360.61 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 25107592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).