methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate

C26H56O4Si2 — CID 87528215

IUPACmethyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate
SMILESCOC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)CC(C)CCCC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si2/c1-21(16-15-18-26(8,9)30-32(13,14)25(5,6)7)20-22(23(27)28-10)17-19-29-31(11,12)24(2,3)4/h21-22H,15-20H2,1-14H3/t21?,22-/m1/s1
InChIKeyRIUMBVFYIBCFTD-FOIFJWKZSA-N
MW488.90 g/mol
LogP8.18
Rot. Bonds13

About methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate

methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate (PubChem CID 87528215) has the molecular formula C26H56O4Si2 and a molecular weight of 488.90 g/mol. Its IUPAC name is methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate.

Molecular Properties

Compound Namemethyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate
PubChem CID87528215
Molecular FormulaC26H56O4Si2
Molecular Weight488.90 g/mol
Exact Mass488.37
IUPAC Namemethyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate
SMILESCOC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)CC(C)CCCC(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si2/c1-21(16-15-18-26(8,9)30-32(13,14)25(5,6)7)20-22(23(27)28-10)17-19-29-31(11,12)24(2,3)4/h21-22H,15-20H2,1-14H3/t21?,22-/m1/s1
InChIKeyRIUMBVFYIBCFTD-FOIFJWKZSA-N
XLogP8.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.90
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate with MolForge

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Related Compounds

methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-[hydroxy(dimethyl)silyl]-7-methyloctan-2-one
CID 88585104
(3R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-1,1-dimethoxy-3,5-dimethylheptan-4-one
CID 138968890
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 101084181
(4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 11380277
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
methyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,2-dimethylpentanoate
CID 124629533
(2S,4S)-2-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pentanedioic acid
CID 89136384
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4,4-trifluorobutanoic acid
CID 140678729
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate?
The IUPAC name of methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate (CID 87528215) is methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate.
What is the SMILES notation for methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate?
The canonical SMILES for methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate is COC(=O)[C@H](CCO[Si](C)(C)C(C)(C)C)CC(C)CCCC(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate?
The InChIKey is RIUMBVFYIBCFTD-FOIFJWKZSA-N. The full InChI is InChI=1S/C26H56O4Si2/c1-21(16-15-18-26(8,9)30-32(13,14)25(5,6)7)20-22(23(27)28-10)17-19-29-31(11,12)24(2,3)4/h21-22H,15-20H2,1-14H3/t21?,22-/m1/s1.
What are the key properties of methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate?
methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate has a molecular weight of 488.90 g/mol, XLogP of 8.18, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-8-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-dimethylnonanoate is sourced from PubChem (CID 87528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).