[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate

C27H58O6Si3 — CID 153303543

IUPAC[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(O[Si](C)(C)C)[C@H]1OC[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C27H58O6Si3/c1-11-12-13-14-15-16-17-18-19-20-25(28)29-21-23(31-34(2,3)4)26-27(33-36(8,9)10)24(22-30-26)32-35(5,6)7/h23-24,26-27H,11-22H2,1-10H3/t23?,24-,26-,27+/m1/s1
InChIKeyGUQFLXWRRGTIAL-MQJWLCRGSA-N
MW563.01 g/mol
LogP7.51
Rot. Bonds19

About [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate

[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate (PubChem CID 153303543) has the molecular formula C27H58O6Si3 and a molecular weight of 563.01 g/mol. Its IUPAC name is [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate.

Molecular Properties

Compound Name[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate
PubChem CID153303543
Molecular FormulaC27H58O6Si3
Molecular Weight563.01 g/mol
Exact Mass562.35
IUPAC Name[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(O[Si](C)(C)C)[C@H]1OC[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C27H58O6Si3/c1-11-12-13-14-15-16-17-18-19-20-25(28)29-21-23(31-34(2,3)4)26-27(33-36(8,9)10)24(22-30-26)32-35(5,6)7/h23-24,26-27H,11-22H2,1-10H3/t23?,24-,26-,27+/m1/s1
InChIKeyGUQFLXWRRGTIAL-MQJWLCRGSA-N
XLogP7.51
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.01
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Tween 60
CID 24832100
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
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
Sorbitan, tetraoctadecanoate
CID 6454268
Sorbitan, tetradodecanoate
CID 44147512
[(2R)-2-[(2R,3R,4S)-3,4-di(docosanoyloxy)oxolan-2-yl]-2-docosanoyloxyethyl] docosanoate
CID 53664666

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate?
The IUPAC name of [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate (CID 153303543) is [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate.
What is the SMILES notation for [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate?
The canonical SMILES for [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate is CCCCCCCCCCCC(=O)OCC(O[Si](C)(C)C)[C@H]1OC[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate?
The InChIKey is GUQFLXWRRGTIAL-MQJWLCRGSA-N. The full InChI is InChI=1S/C27H58O6Si3/c1-11-12-13-14-15-16-17-18-19-20-25(28)29-21-23(31-34(2,3)4)26-27(33-36(8,9)10)24(22-30-26)32-35(5,6)7/h23-24,26-27H,11-22H2,1-10H3/t23?,24-,26-,27+/m1/s1.
What are the key properties of [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate?
[2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate has a molecular weight of 563.01 g/mol, XLogP of 7.51, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,3R,4R)-3,4-bis(trimethylsilyloxy)oxolan-2-yl]-2-trimethylsilyloxyethyl] dodecanoate is sourced from PubChem (CID 153303543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).