methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate

C24H42O5Si — CID 11732882

IUPACmethyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate
SMILESCOC(=O)[C@H](CCCCCC[C@@H](C)OCOCC[Si](C)(C)C)OCc1ccccc1
InChIInChI=1S/C24H42O5Si/c1-21(29-20-27-17-18-30(3,4)5)13-9-6-7-12-16-23(24(25)26-2)28-19-22-14-10-8-11-15-22/h8,10-11,14-15,21,23H,6-7,9,12-13,16-20H2,1-5H3/t21-,23+/m1/s1
InChIKeyVVEVRHRDZRIVAA-GGAORHGYSA-N
MW438.68 g/mol
LogP5.80
Rot. Bonds17

About methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate

methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate (PubChem CID 11732882) has the molecular formula C24H42O5Si and a molecular weight of 438.68 g/mol. Its IUPAC name is methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate.

Molecular Properties

Compound Namemethyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate
PubChem CID11732882
Molecular FormulaC24H42O5Si
Molecular Weight438.68 g/mol
Exact Mass438.28
IUPAC Namemethyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate
SMILESCOC(=O)[C@H](CCCCCC[C@@H](C)OCOCC[Si](C)(C)C)OCc1ccccc1
InChIInChI=1S/C24H42O5Si/c1-21(29-20-27-17-18-30(3,4)5)13-9-6-7-12-16-23(24(25)26-2)28-19-22-14-10-8-11-15-22/h8,10-11,14-15,21,23H,6-7,9,12-13,16-20H2,1-5H3/t21-,23+/m1/s1
InChIKeyVVEVRHRDZRIVAA-GGAORHGYSA-N
XLogP5.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
methyl (E,2S,6R,10S)-2-(methoxymethoxy)-6-[(4-methoxyphenyl)methoxy]-10-phenylmethoxyundec-4-enoate
CID 10885595
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
CID 131734747
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
(2S,3R)-2-(2-methylsulfanylethyl)-2-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxymethoxy)butanoic acid
CID 102463299
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
4-(2-phenylmethoxyethoxy)pentyl carbamate
CID 175093685

Frequently Asked Questions

What is the IUPAC name of methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
The IUPAC name of methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate (CID 11732882) is methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate.
What is the SMILES notation for methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
The canonical SMILES for methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate is COC(=O)[C@H](CCCCCC[C@@H](C)OCOCC[Si](C)(C)C)OCc1ccccc1.
What is the InChIKey of methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
The InChIKey is VVEVRHRDZRIVAA-GGAORHGYSA-N. The full InChI is InChI=1S/C24H42O5Si/c1-21(29-20-27-17-18-30(3,4)5)13-9-6-7-12-16-23(24(25)26-2)28-19-22-14-10-8-11-15-22/h8,10-11,14-15,21,23H,6-7,9,12-13,16-20H2,1-5H3/t21-,23+/m1/s1.
What are the key properties of methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate has a molecular weight of 438.68 g/mol, XLogP of 5.80, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,9R)-2-phenylmethoxy-9-(2-trimethylsilylethoxymethoxy)decanoate is sourced from PubChem (CID 11732882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).