[(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane

C32H62O5Si2 — CID 18395992

About [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane

[(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane (PubChem CID 18395992) has the molecular formula C32H62O5Si2 and a molecular weight of 583.02 g/mol. Its IUPAC name is [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane
• PubChem CID: 18395992
• Molecular Formula: C32H62O5Si2
• Molecular Weight: 583.02 g/mol
• Exact Mass: 582.41
• IUPAC Name: [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane
• SMILES: CC[Si](CC)(CC)OCC[C@H]1[C@@H](O[Si](CC)(CC)CC)CO[C@@H]1C=CC(OC1CCCCO1)C1CCCCC1
• InChI: InChI=1S/C32H62O5Si2/c1-7-38(8-2,9-3)35-25-23-28-30(34-26-31(28)37-39(10-4,11-5)12-6)22-21-29(27-18-14-13-15-19-27)36-32-20-16-17-24-33-32/h21-22,27-32H,7-20,23-26H2,1-6H3/t28-,29?,30-,31+,32?/m1/s1
• InChIKey: PRUVVMWWCACUKF-VQNIHGGISA-N
• XLogP: 8.85
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.02
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane?

The IUPAC name of [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane (CID 18395992) is [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane.

What is the SMILES notation for [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane?

The canonical SMILES for [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane is CC[Si](CC)(CC)OCC[C@H]1[C@@H](O[Si](CC)(CC)CC)CO[C@@H]1C=CC(OC1CCCCO1)C1CCCCC1.

What is the InChIKey of [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane?

The InChIKey is PRUVVMWWCACUKF-VQNIHGGISA-N. The full InChI is InChI=1S/C32H62O5Si2/c1-7-38(8-2,9-3)35-25-23-28-30(34-26-31(28)37-39(10-4,11-5)12-6)22-21-29(27-18-14-13-15-19-27)36-32-20-16-17-24-33-32/h21-22,27-32H,7-20,23-26H2,1-6H3/t28-,29?,30-,31+,32?/m1/s1.

What are the key properties of [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane?

[(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane has a molecular weight of 583.02 g/mol, XLogP of 8.85, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R,5R)-5-[3-cyclohexyl-3-(oxan-2-yloxy)prop-1-enyl]-4-(2-triethylsilyloxyethyl)oxolan-3-yl]oxy-triethylsilane is sourced from PubChem (CID 18395992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).