[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate

C34H72O7Si3 — CID 609194

IUPAC[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C34H72O7Si3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(35)37-28-29-31(39-42(3,4)5)32(40-43(6,7)8)33(34(36-2)38-29)41-44(9,10)11/h29,31-34H,12-28H2,1-11H3
InChIKeyTVMWFPNVCSOGOG-UHFFFAOYSA-N
MW677.20 g/mol
LogP9.82
Rot. Bonds25

About [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate

[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate (PubChem CID 609194) has the molecular formula C34H72O7Si3 and a molecular weight of 677.20 g/mol. Its IUPAC name is [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate.

Molecular Properties

Compound Name[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate
PubChem CID609194
Molecular FormulaC34H72O7Si3
Molecular Weight677.20 g/mol
Exact Mass676.46
IUPAC Name[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C34H72O7Si3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(35)37-28-29-31(39-42(3,4)5)32(40-43(6,7)8)33(34(36-2)38-29)41-44(9,10)11/h29,31-34H,12-28H2,1-11H3
InChIKeyTVMWFPNVCSOGOG-UHFFFAOYSA-N
XLogP9.82
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.20
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate with MolForge

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Launch Full Analysis

Related Compounds

Sucrose octapalmitate
CID 73543
[(3S,4S,5R,6R)-4,5-di(dodecanoyloxy)-6-methoxyoxan-3-yl] dodecanoate
CID 16091492
[(3S,4S,5R,6S)-4,5-di(dodecanoyloxy)-6-methoxyoxan-3-yl] dodecanoate
CID 16091493
[(2S)-2-dodecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropyl] dodecanoate
CID 127025857
alpha-D-Glucopyranose, 4-o-[2,3,4,6-tetrakis-O-(1-oxononyl)-beta-D-glucopyranosyl]-, tetranonanoate
CID 12151561
Sucrose octastearate
CID 99183
1,3,4,6-Tetrakis-O-(1-oxotetradecyl)-beta-D-fructofuranosyl-alpha-D-glucopyranoside tetramyristate
CID 53927312
[(2S)-2-fluoro-2-[(2S,3S,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]ethyl] octadecanoate
CID 164787755
[6-[3,4-Di(octadecanoyloxy)-2,5-bis(octadecanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tri(octadecanoyloxy)oxan-2-yl]methyl octadecanoate
CID 426476
2-Propylpentanoic acid, 2,3,4,6-tetra(trimethylsilyl)-1-glucopyranoside
CID 523708
8-methoxycarbonyloctyl 2,4-di-O-acetyl-3,6-di-O-methyl-beta-d-glucopyranoside
CID 129877993
Ethyl (2R,3S)-2-(tetrahydro-2H-pyran-2-yloxy)-3-(triisopropylsiloxy)decanoate
CID 132427757

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate?
The IUPAC name of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate (CID 609194) is [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate.
What is the SMILES notation for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate?
The canonical SMILES for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate?
The InChIKey is TVMWFPNVCSOGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72O7Si3/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(35)37-28-29-31(39-42(3,4)5)32(40-43(6,7)8)33(34(36-2)38-29)41-44(9,10)11/h29,31-34H,12-28H2,1-11H3.
What are the key properties of [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate?
[6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate has a molecular weight of 677.20 g/mol, XLogP of 9.82, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl octadecanoate is sourced from PubChem (CID 609194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).