methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate

C24H42O4Si — CID 14693894

IUPACmethyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate
SMILESCCCCCCCCCC[C@H](O[Si](OC)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C24H42O4Si/c1-7-8-9-10-11-12-13-17-20-22(23(25)26-5)28-29(27-6,24(2,3)4)21-18-15-14-16-19-21/h14-16,18-19,22H,7-13,17,20H2,1-6H3/t22-,29?/m0/s1
InChIKeyYWPHLOITKCINSA-RBQQCVMASA-N
MW422.68 g/mol
LogP5.87
Rot. Bonds14

About methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate

methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate (PubChem CID 14693894) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate
PubChem CID14693894
Molecular FormulaC24H42O4Si
Molecular Weight422.68 g/mol
Exact Mass422.29
IUPAC Namemethyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate
SMILESCCCCCCCCCC[C@H](O[Si](OC)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C24H42O4Si/c1-7-8-9-10-11-12-13-17-20-22(23(25)26-5)28-29(27-6,24(2,3)4)21-18-15-14-16-19-21/h14-16,18-19,22H,7-13,17,20H2,1-6H3/t22-,29?/m0/s1
InChIKeyYWPHLOITKCINSA-RBQQCVMASA-N
XLogP5.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 55.87
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

methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
(1-methoxy-1-oxoheptan-2-yl) benzoate
CID 13122642
tert-butyl-chloro-diphenylsilane;(2R)-hexadecan-2-ol;methanol;methyl (2S)-2-hydroxyhexadecanoate
CID 90924909
methyl 2-trimethylsilyloxyhexadecanoate
CID 524469
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
ethyl 2-phenoxydecanoate
CID 101000092
methyl 2-(2,4-dioxo-4-phenylbutyl)pentadecanoate
CID 54442988
methyl 2-(2,4-dioxo-4-phenylbutyl)heptadecanoate
CID 54001617
methyl 2-phenylheptanoate
CID 143443478
methyl 2-anilinooctanoate
CID 54889679
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate?
The IUPAC name of methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate (CID 14693894) is methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate.
What is the SMILES notation for methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate?
The canonical SMILES for methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate is CCCCCCCCCC[C@H](O[Si](OC)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate?
The InChIKey is YWPHLOITKCINSA-RBQQCVMASA-N. The full InChI is InChI=1S/C24H42O4Si/c1-7-8-9-10-11-12-13-17-20-22(23(25)26-5)28-29(27-6,24(2,3)4)21-18-15-14-16-19-21/h14-16,18-19,22H,7-13,17,20H2,1-6H3/t22-,29?/m0/s1.
What are the key properties of methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate?
methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate has a molecular weight of 422.68 g/mol, XLogP of 5.87, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(tert-butyl-methoxy-phenylsilyl)oxydodecanoate is sourced from PubChem (CID 14693894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).