About [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate
[(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate (PubChem CID 24938969) has the molecular formula C19H34O6Si
and a molecular weight of 386.56 g/mol. Its IUPAC name is [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate.
Molecular Properties
| Compound Name | [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate |
|---|
| PubChem CID | 24938969 |
|---|
| Molecular Formula | C19H34O6Si |
|---|
| Molecular Weight | 386.56 g/mol |
|---|
| Exact Mass | 386.21 |
|---|
| IUPAC Name | [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate |
|---|
| SMILES | C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC#CCOC(=O)OC)OCOC |
|---|
| InChI | InChI=1S/C19H34O6Si/c1-15(2)17(25-26(8,9)19(3,4)5)16(24-14-21-6)12-10-11-13-23-18(20)22-7/h16-17H,1,12-14H2,2-9H3/t16-,17-/m1/s1 |
|---|
| InChIKey | SHDKFDSSJQBXRO-IAGOWNOFSA-N |
|---|
| XLogP | 4.12 |
|---|
| TPSA | 63.22 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 26 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 386.56 |
| LogP ≤ 5 | 4.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate?
The IUPAC name of [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate (CID 24938969) is [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate.
What is the SMILES notation for [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate?
The canonical SMILES for [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate is C=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC#CCOC(=O)OC)OCOC.
What is the InChIKey of [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate?
The InChIKey is SHDKFDSSJQBXRO-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-15(2)17(25-26(8,9)19(3,4)5)16(24-14-21-6)12-10-11-13-23-18(20)22-7/h16-17H,1,12-14H2,2-9H3/t16-,17-/m1/s1.
What are the key properties of [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate?
[(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate has a molecular weight of 386.56 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methyloct-7-en-2-ynyl] methyl carbonate is sourced from PubChem (CID 24938969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).