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

C17H36O5Si — CID 102292945

IUPACmethyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate
SMILESCOC(=O)[C@H](O)CCCCCC[C@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H36O5Si/c1-15(22-14-21-12-13-23(3,4)5)10-8-6-7-9-11-16(18)17(19)20-2/h15-16,18H,6-14H2,1-5H3/t15-,16+/m0/s1
InChIKeyIKLDCTDIFJDBBK-JKSUJKDBSA-N
MW348.56 g/mol
LogP3.58
Rot. Bonds14

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

methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate (PubChem CID 102292945) has the molecular formula C17H36O5Si and a molecular weight of 348.56 g/mol. Its IUPAC name is methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate.

Molecular Properties

Compound Namemethyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate
PubChem CID102292945
Molecular FormulaC17H36O5Si
Molecular Weight348.56 g/mol
Exact Mass348.23
IUPAC Namemethyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate
SMILESCOC(=O)[C@H](O)CCCCCC[C@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H36O5Si/c1-15(22-14-21-12-13-23(3,4)5)10-8-6-7-9-11-16(18)17(19)20-2/h15-16,18H,6-14H2,1-5H3/t15-,16+/m0/s1
InChIKeyIKLDCTDIFJDBBK-JKSUJKDBSA-N
XLogP3.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
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

ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
CID 71336008
(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
methyl (2S)-2-hydroxyheptanoate
CID 71444954
trimethyl-[2-(propan-2-yloxymethoxy)ethyl]silane
CID 140699202
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
dimethyl 2-hydroxyhexanedioate
CID 13448463
methyl 5-chloro-2-hydroxypentanoate
CID 55302399
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid
CID 87972756
(3R,4S,5S,6R)-2,7-dimethyl-4,5-bis(2-trimethylsilylethoxymethoxy)octane-3,6-diamine
CID 10528134
methyl 2-hydroxynon-7-enoate
CID 174951133
methyl 2-hydroxypentanoate
CID 543619

Frequently Asked Questions

What is the IUPAC name of methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
The IUPAC name of methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate (CID 102292945) is methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate.
What is the SMILES notation for methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
The canonical SMILES for methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate is COC(=O)[C@H](O)CCCCCC[C@H](C)OCOCC[Si](C)(C)C.
What is the InChIKey of methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
The InChIKey is IKLDCTDIFJDBBK-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H36O5Si/c1-15(22-14-21-12-13-23(3,4)5)10-8-6-7-9-11-16(18)17(19)20-2/h15-16,18H,6-14H2,1-5H3/t15-,16+/m0/s1.
What are the key properties of methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate?
methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate has a molecular weight of 348.56 g/mol, XLogP of 3.58, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,9S)-2-hydroxy-9-(2-trimethylsilylethoxymethoxy)decanoate is sourced from PubChem (CID 102292945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).