methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate

C36H56O5Si2 — CID 11017592

IUPACmethyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate
SMILESCOC(=O)[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C=C/C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H56O5Si2/c1-34(2,3)42(10,11)40-27-25-31(33(38)39-9)32(37)24-18-19-26-36(7,8)28-41-43(35(4,5)6,29-20-14-12-15-21-29)30-22-16-13-17-23-30/h12-24,26,31-32,37H,25,27-28H2,1-11H3/b24-18+,26-19+/t31-,32+/m0/s1
InChIKeyMQGXAIJVYUKOAP-CWFPFQHDSA-N
MW625.01 g/mol
LogP7.26
Rot. Bonds14

About methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate

methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate (PubChem CID 11017592) has the molecular formula C36H56O5Si2 and a molecular weight of 625.01 g/mol. Its IUPAC name is methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate.

Molecular Properties

Compound Namemethyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate
PubChem CID11017592
Molecular FormulaC36H56O5Si2
Molecular Weight625.01 g/mol
Exact Mass624.37
IUPAC Namemethyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate
SMILESCOC(=O)[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C=C/C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C36H56O5Si2/c1-34(2,3)42(10,11)40-27-25-31(33(38)39-9)32(37)24-18-19-26-36(7,8)28-41-43(35(4,5)6,29-20-14-12-15-21-29)30-22-16-13-17-23-30/h12-24,26,31-32,37H,25,27-28H2,1-11H3/b24-18+,26-19+/t31-,32+/m0/s1
InChIKeyMQGXAIJVYUKOAP-CWFPFQHDSA-N
XLogP7.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.01
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate 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 methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate?
The IUPAC name of methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate (CID 11017592) is methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate.
What is the SMILES notation for methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate?
The canonical SMILES for methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate is COC(=O)[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C=C/C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate?
The InChIKey is MQGXAIJVYUKOAP-CWFPFQHDSA-N. The full InChI is InChI=1S/C36H56O5Si2/c1-34(2,3)42(10,11)40-27-25-31(33(38)39-9)32(37)24-18-19-26-36(7,8)28-41-43(35(4,5)6,29-20-14-12-15-21-29)30-22-16-13-17-23-30/h12-24,26,31-32,37H,25,27-28H2,1-11H3/b24-18+,26-19+/t31-,32+/m0/s1.
What are the key properties of methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate?
methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate has a molecular weight of 625.01 g/mol, XLogP of 7.26, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4E,6E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8,8-dimethylnona-4,6-dienoate is sourced from PubChem (CID 11017592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).