ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate

C17H36O3Si — CID 54576108

IUPACethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate
SMILESCCCCC[C@H](CCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-8-10-11-12-15(13-14-16(18)19-9-2)20-21(6,7)17(3,4)5/h15H,8-14H2,1-7H3/t15-/m1/s1
InChIKeyKVTQROXNJMIJTR-OAHLLOKOSA-N
MW316.56 g/mol
LogP5.30
Rot. Bonds10

About ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate

ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate (PubChem CID 54576108) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate.

Molecular Properties

Compound Nameethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate
PubChem CID54576108
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Nameethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate
SMILESCCCCC[C@H](CCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-8-10-11-12-15(13-14-16(18)19-9-2)20-21(6,7)17(3,4)5/h15H,8-14H2,1-7H3/t15-/m1/s1
InChIKeyKVTQROXNJMIJTR-OAHLLOKOSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
Ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-difluorooctanoate
CID 140309028
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate?
The IUPAC name of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate (CID 54576108) is ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate.
What is the SMILES notation for ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate?
The canonical SMILES for ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate is CCCCC[C@H](CCC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate?
The InChIKey is KVTQROXNJMIJTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-8-10-11-12-15(13-14-16(18)19-9-2)20-21(6,7)17(3,4)5/h15H,8-14H2,1-7H3/t15-/m1/s1.
What are the key properties of ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate?
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate has a molecular weight of 316.56 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate is sourced from PubChem (CID 54576108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).