ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate

C18H38O3Si — CID 166449043

IUPACethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
SMILESCCCCC[C@H](CCCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-8-10-11-13-16(14-12-15-17(19)20-9-2)21-22(6,7)18(3,4)5/h16H,8-15H2,1-7H3/t16-/m1/s1
InChIKeyZVOPWKNRRVPRKE-MRXNPFEDSA-N
MW330.59 g/mol
LogP5.69
Rot. Bonds11

About ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate

ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate (PubChem CID 166449043) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate.

Molecular Properties

Compound Nameethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
PubChem CID166449043
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Nameethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
SMILESCCCCC[C@H](CCCC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O3Si/c1-8-10-11-13-16(14-12-15-17(19)20-9-2)21-22(6,7)18(3,4)5/h16H,8-15H2,1-7H3/t16-/m1/s1
InChIKeyZVOPWKNRRVPRKE-MRXNPFEDSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.69
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 (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
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
(5R)-5-[4-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
CID 11370458
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
Butyl 5-butoxyeicosanoate
CID 15413163
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxynonanoate
CID 54576108
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate?
The IUPAC name of ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate (CID 166449043) is ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate.
What is the SMILES notation for ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate?
The canonical SMILES for ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate is CCCCC[C@H](CCCC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate?
The InChIKey is ZVOPWKNRRVPRKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-8-10-11-13-16(14-12-15-17(19)20-9-2)21-22(6,7)18(3,4)5/h16H,8-15H2,1-7H3/t16-/m1/s1.
What are the key properties of ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate?
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate has a molecular weight of 330.59 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate is sourced from PubChem (CID 166449043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).