[(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane

C28H58O2Si — CID 11730143

About [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane

[(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane (PubChem CID 11730143) has the molecular formula C28H58O2Si and a molecular weight of 454.86 g/mol. Its IUPAC name is [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane
• PubChem CID: 11730143
• Molecular Formula: C28H58O2Si
• Molecular Weight: 454.86 g/mol
• Exact Mass: 454.42
• IUPAC Name: [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane
• SMILES: CCCCCCCCCCCCCC/C=C\O[C@H](C[C@@H](O[Si](C)(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C28H58O2Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-27(25(2)3)24-28(26(4)5)30-31(6,7)8/h22-23,25-28H,9-21,24H2,1-8H3/b23-22-/t27-,28-/m1/s1
• InChIKey: LHDDSMPFTCDENO-SHYCRHDKSA-N
• XLogP: 9.90
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 21
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.86
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane?

The IUPAC name of [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane (CID 11730143) is [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane.

What is the SMILES notation for [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane?

The canonical SMILES for [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane is CCCCCCCCCCCCCC/C=C\O[C@H](C[C@@H](O[Si](C)(C)C)C(C)C)C(C)C.

What is the InChIKey of [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane?

The InChIKey is LHDDSMPFTCDENO-SHYCRHDKSA-N. The full InChI is InChI=1S/C28H58O2Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-27(25(2)3)24-28(26(4)5)30-31(6,7)8/h22-23,25-28H,9-21,24H2,1-8H3/b23-22-/t27-,28-/m1/s1.

What are the key properties of [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane?

[(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane has a molecular weight of 454.86 g/mol, XLogP of 9.90, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[(Z)-hexadec-1-enoxy]-2,6-dimethylheptan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 11730143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).