methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate

C24H48O4Si — CID 135029963

IUPACmethyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate
SMILESCCCCCCCCCCC[C@]1(C(=O)OC)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H48O4Si/c1-8-9-10-11-12-13-14-15-16-18-24(22(25)26-5)19-17-21(28-24)20-27-29(6,7)23(2,3)4/h21H,8-20H2,1-7H3/t21-,24+/m0/s1
InChIKeyAQJACYXCBANLLX-XUZZJYLKSA-N
MW428.73 g/mol
LogP7.02
Rot. Bonds14

About methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate

methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate (PubChem CID 135029963) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate
PubChem CID135029963
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Namemethyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate
SMILESCCCCCCCCCCC[C@]1(C(=O)OC)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C24H48O4Si/c1-8-9-10-11-12-13-14-15-16-18-24(22(25)26-5)19-17-21(28-24)20-27-29(6,7)23(2,3)4/h21H,8-20H2,1-7H3/t21-,24+/m0/s1
InChIKeyAQJACYXCBANLLX-XUZZJYLKSA-N
XLogP7.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 57.02
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

(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
CID 53495419
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-oxooxolane-2-carboxylate
CID 135020846
Ethyl 3,5-diheptyloxolane-2-carboxylate
CID 18988253
Bis(2-propylheptyl) oxolane-2,5-dicarboxylate
CID 122422493
methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-3-yl]acetate
CID 173847518
methyl 2-[(4R,5R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxyoxolan-3-yl]acetate
CID 173847554
(4S)-5-[2-[(2R,3S)-3-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one
CID 173962133
methyl 2-[(4R)-5-[2,3-bis(triethylsilyloxy)propyl]-4-methoxyoxolan-3-yl]acetate
CID 173992085
(4S,5S)-5-[2-[(2R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxybutyl]oxiran-2-yl]-1-triethylsilyloxyethyl]-4-methyloxolan-2-one
CID 174135176
dimethyl (2S,3R,5S)-3-nonyloxolane-2,5-dicarboxylate
CID 9972937
dimethyl (2S,3S,5S)-3-nonyloxolane-2,5-dicarboxylate
CID 10041347

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate?
The IUPAC name of methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate (CID 135029963) is methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate?
The canonical SMILES for methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate is CCCCCCCCCCC[C@]1(C(=O)OC)CC[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate?
The InChIKey is AQJACYXCBANLLX-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-8-9-10-11-12-13-14-15-16-18-24(22(25)26-5)19-17-21(28-24)20-27-29(6,7)23(2,3)4/h21H,8-20H2,1-7H3/t21-,24+/m0/s1.
What are the key properties of methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate?
methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate has a molecular weight of 428.73 g/mol, XLogP of 7.02, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate is sourced from PubChem (CID 135029963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).