(3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one

C27H50O5Si — CID 15694409

About (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one

(3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one (PubChem CID 15694409) has the molecular formula C27H50O5Si and a molecular weight of 482.78 g/mol. Its IUPAC name is (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one.

Molecular Properties

• Compound Name: (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one
• PubChem CID: 15694409
• Molecular Formula: C27H50O5Si
• Molecular Weight: 482.78 g/mol
• Exact Mass: 482.34
• IUPAC Name: (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one
• SMILES: C=CC[C@H](/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]1OC(=O)[C@H](C)C[C@@H]1OC)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H50O5Si/c1-12-13-22(18-31-33(10,11)27(5,6)7)15-19(2)14-20(3)16-23(29-8)25-24(30-9)17-21(4)26(28)32-25/h12,15,20-25H,1,13-14,16-18H2,2-11H3/b19-15+/t20-,21+,22+,23-,24-,25+/m0/s1
• InChIKey: JOEMIJMTAPUQSI-ZHDBXHJISA-N
• XLogP: 6.54
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.78
LogP ≤ 5	6.54
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,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one?

The IUPAC name of (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one (CID 15694409) is (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one.

What is the SMILES notation for (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one?

The canonical SMILES for (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one is C=CC[C@H](/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]1OC(=O)[C@H](C)C[C@@H]1OC)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one?

The InChIKey is JOEMIJMTAPUQSI-ZHDBXHJISA-N. The full InChI is InChI=1S/C27H50O5Si/c1-12-13-22(18-31-33(10,11)27(5,6)7)15-19(2)14-20(3)16-23(29-8)25-24(30-9)17-21(4)26(28)32-25/h12,15,20-25H,1,13-14,16-18H2,2-11H3/b19-15+/t20-,21+,22+,23-,24-,25+/m0/s1.

What are the key properties of (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one?

(3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one has a molecular weight of 482.78 g/mol, XLogP of 6.54, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S,6R)-6-[(1S,3S,5E,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methoxy-3,5-dimethyldeca-5,9-dienyl]-5-methoxy-3-methyloxan-2-one is sourced from PubChem (CID 15694409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).