ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate

C22H48O4Si2 — CID 42611786

IUPACethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C22H48O4Si2/c1-13-15-16-17-18(25-27(9,10)21(3,4)5)19(20(23)24-14-2)26-28(11,12)22(6,7)8/h18-19H,13-17H2,1-12H3/t18-,19+/m0/s1
InChIKeyOICTWHTVQKMWFR-RBUKOAKNSA-N
MW432.79 g/mol
LogP6.91
Rot. Bonds11

About ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate

ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate (PubChem CID 42611786) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate
PubChem CID42611786
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Nameethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC
InChIInChI=1S/C22H48O4Si2/c1-13-15-16-17-18(25-27(9,10)21(3,4)5)19(20(23)24-14-2)26-28(11,12)22(6,7)8/h18-19H,13-17H2,1-12H3/t18-,19+/m0/s1
InChIKeyOICTWHTVQKMWFR-RBUKOAKNSA-N
XLogP6.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
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
8-O-tert-butyl 1-O-propan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dioxooctanedioate
CID 11135482
methyl 2-[(3S,4S,4aS,6R,8aS)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-oxo-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-6-yl]acetate
CID 24879811
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate?
The IUPAC name of ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate (CID 42611786) is ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate.
What is the SMILES notation for ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate?
The canonical SMILES for ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate?
The InChIKey is OICTWHTVQKMWFR-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-13-15-16-17-18(25-27(9,10)21(3,4)5)19(20(23)24-14-2)26-28(11,12)22(6,7)8/h18-19H,13-17H2,1-12H3/t18-,19+/m0/s1.
What are the key properties of ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate?
ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate has a molecular weight of 432.79 g/mol, XLogP of 6.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]octanoate is sourced from PubChem (CID 42611786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).