[(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate

C37H74O5Si2 — CID 46855280

About [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate

[(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate (PubChem CID 46855280) has the molecular formula C37H74O5Si2 and a molecular weight of 655.17 g/mol. Its IUPAC name is [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate.

Molecular Properties

• Compound Name: [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate
• PubChem CID: 46855280
• Molecular Formula: C37H74O5Si2
• Molecular Weight: 655.17 g/mol
• Exact Mass: 654.51
• IUPAC Name: [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate
• SMILES: C=C(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]1O[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C
• InChI: InChI=1S/C37H74O5Si2/c1-16-19-32(25-28(2)24-29(3)27-40-44(14,15)37(9,10)11)42-35(38)30(4)20-17-18-21-34-31(5)26-33(41-34)22-23-39-43(12,13)36(6,7)8/h29-34H,2,16-27H2,1,3-15H3/t29-,30+,31+,32-,33+,34+/m1/s1
• InChIKey: JCVCLJZXJVOCQF-BFVJSROOSA-N
• XLogP: 11.09
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.17
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate?

The IUPAC name of [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate (CID 46855280) is [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate.

What is the SMILES notation for [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate?

The canonical SMILES for [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate is C=C(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]1O[C@@H](CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C.

What is the InChIKey of [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate?

The InChIKey is JCVCLJZXJVOCQF-BFVJSROOSA-N. The full InChI is InChI=1S/C37H74O5Si2/c1-16-19-32(25-28(2)24-29(3)27-40-44(14,15)37(9,10)11)42-35(38)30(4)20-17-18-21-34-31(5)26-33(41-34)22-23-39-43(12,13)36(6,7)8/h29-34H,2,16-27H2,1,3-15H3/t29-,30+,31+,32-,33+,34+/m1/s1.

What are the key properties of [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate?

[(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate has a molecular weight of 655.17 g/mol, XLogP of 11.09, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methyl-6-methylidenenonan-4-yl] (2S)-6-[(2S,3S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxolan-2-yl]-2-methylhexanoate is sourced from PubChem (CID 46855280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).