prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate

C35H62O6Si — CID 163524402

About prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate

prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate (PubChem CID 163524402) has the molecular formula C35H62O6Si and a molecular weight of 606.96 g/mol. Its IUPAC name is prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate.

Molecular Properties

• Compound Name: prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate
• PubChem CID: 163524402
• Molecular Formula: C35H62O6Si
• Molecular Weight: 606.96 g/mol
• Exact Mass: 606.43
• IUPAC Name: prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate
• SMILES: C=CCOC(=O)CC[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@@]2(C)O[C@@H]2[C@H](C)[C@@H](OC)[C@@H](C)O[Si](CC)(CC)CC)O1
• InChI: InChI=1S/C35H62O6Si/c1-12-23-38-31(36)22-21-30-20-19-27(7)32(39-30)26(6)18-16-17-25(5)24-35(10)34(40-35)28(8)33(37-11)29(9)41-42(13-2,14-3)15-4/h12,16-18,25,27-30,32-34H,1,13-15,19-24H2,2-11H3/b17-16+,26-18+/t25-,27+,28-,29-,30-,32-,33-,34-,35-/m1/s1
• InChIKey: DNMVIYDTXGVVPQ-JMKMLCGCSA-N
• XLogP: 8.43
• TPSA: 66.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.96
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate?

The IUPAC name of prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate (CID 163524402) is prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate.

What is the SMILES notation for prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate?

The canonical SMILES for prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate is C=CCOC(=O)CC[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@@]2(C)O[C@@H]2[C@H](C)[C@@H](OC)[C@@H](C)O[Si](CC)(CC)CC)O1.

What is the InChIKey of prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate?

The InChIKey is DNMVIYDTXGVVPQ-JMKMLCGCSA-N. The full InChI is InChI=1S/C35H62O6Si/c1-12-23-38-31(36)22-21-30-20-19-27(7)32(39-30)26(6)18-16-17-25(5)24-35(10)34(40-35)28(8)33(37-11)29(9)41-42(13-2,14-3)15-4/h12,16-18,25,27-30,32-34H,1,13-15,19-24H2,2-11H3/b17-16+,26-18+/t25-,27+,28-,29-,30-,32-,33-,34-,35-/m1/s1.

What are the key properties of prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate?

prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate has a molecular weight of 606.96 g/mol, XLogP of 8.43, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 3-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-triethylsilyloxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]propanoate is sourced from PubChem (CID 163524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).