trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate

C18H36O5Si2 — CID 6430473

IUPACtrimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate
SMILESC[Si](C)(C)OC(=O)CCCCCC1CCC(CC(=O)O[Si](C)(C)C)O1
InChIInChI=1S/C18H36O5Si2/c1-24(2,3)22-17(19)11-9-7-8-10-15-12-13-16(21-15)14-18(20)23-25(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyMAVJRPFPYJZHPD-UHFFFAOYSA-N
MW388.65 g/mol
LogP4.63
Rot. Bonds10

About trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate

trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate (PubChem CID 6430473) has the molecular formula C18H36O5Si2 and a molecular weight of 388.65 g/mol. Its IUPAC name is trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate.

Molecular Properties

Compound Nametrimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate
PubChem CID6430473
Molecular FormulaC18H36O5Si2
Molecular Weight388.65 g/mol
Exact Mass388.21
IUPAC Nametrimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate
SMILESC[Si](C)(C)OC(=O)CCCCCC1CCC(CC(=O)O[Si](C)(C)C)O1
InChIInChI=1S/C18H36O5Si2/c1-24(2,3)22-17(19)11-9-7-8-10-15-12-13-16(21-15)14-18(20)23-25(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyMAVJRPFPYJZHPD-UHFFFAOYSA-N
XLogP4.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 54.63
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'}

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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 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate?
The IUPAC name of trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate (CID 6430473) is trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate.
What is the SMILES notation for trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate?
The canonical SMILES for trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate is C[Si](C)(C)OC(=O)CCCCCC1CCC(CC(=O)O[Si](C)(C)C)O1.
What is the InChIKey of trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate?
The InChIKey is MAVJRPFPYJZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O5Si2/c1-24(2,3)22-17(19)11-9-7-8-10-15-12-13-16(21-15)14-18(20)23-25(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate?
trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate has a molecular weight of 388.65 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-[5-(2-oxo-2-trimethylsilyloxyethyl)oxolan-2-yl]hexanoate is sourced from PubChem (CID 6430473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).