trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate

C20H40O5Si2 — CID 6430474

IUPACtrimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate
SMILESC[Si](C)(C)OC(=O)CCCCCCCC1CCC(CC(=O)O[Si](C)(C)C)O1
InChIInChI=1S/C20H40O5Si2/c1-26(2,3)24-19(21)13-11-9-7-8-10-12-17-14-15-18(23-17)16-20(22)25-27(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyFYMRCDADMMVZJE-UHFFFAOYSA-N
MW416.71 g/mol
LogP5.41
Rot. Bonds12

About trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate

trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate (PubChem CID 6430474) has the molecular formula C20H40O5Si2 and a molecular weight of 416.71 g/mol. Its IUPAC name is trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate.

Molecular Properties

Compound Nametrimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate
PubChem CID6430474
Molecular FormulaC20H40O5Si2
Molecular Weight416.71 g/mol
Exact Mass416.24
IUPAC Nametrimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate
SMILESC[Si](C)(C)OC(=O)CCCCCCCC1CCC(CC(=O)O[Si](C)(C)C)O1
InChIInChI=1S/C20H40O5Si2/c1-26(2,3)24-19(21)13-11-9-7-8-10-12-17-14-15-18(23-17)16-20(22)25-27(4,5)6/h17-18H,7-16H2,1-6H3
InChIKeyFYMRCDADMMVZJE-UHFFFAOYSA-N
XLogP5.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.71
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate with MolForge

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Related Compounds

2-Furanacetic acid, tetrahydro-5-tetradecyl-, methyl ester
CID 5273617
methyl 2-[(2S,5S)-5-tetradecyloxolan-2-yl]acetate
CID 21574240
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
2,3-Bis[(trimethylsilyl)oxy]propyl icosanoate
CID 537899
2,3-Bis(trimethylsilyloxy)propyl hexadecanoate
CID 552033
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552917
2,3-Bis[(trimethylsilyl)oxy]propyl stearate
CID 553936
1,2-Dipalmitoyl-3-trimethylsilyl-glycerol
CID 628580
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
1,3-Dipalmitin trimethylsilyl ether
CID 632872
Trimethylsilyl 3-trimethylsilyloxydecanoate
CID 553117
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate?
The IUPAC name of trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate (CID 6430474) is trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate.
What is the SMILES notation for trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate?
The canonical SMILES for trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate is C[Si](C)(C)OC(=O)CCCCCCCC1CCC(CC(=O)O[Si](C)(C)C)O1.
What is the InChIKey of trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate?
The InChIKey is FYMRCDADMMVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5Si2/c1-26(2,3)24-19(21)13-11-9-7-8-10-12-17-14-15-18(23-17)16-20(22)25-27(4,5)6/h17-18H,7-16H2,1-6H3.
What are the key properties of trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate?
trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate has a molecular weight of 416.71 g/mol, XLogP of 5.41, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 8-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]octanoate is sourced from PubChem (CID 6430474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).