methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate

C25H50O6Si — CID 11454329

IUPACmethyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate
SMILESCCCCCCCCCCCC[C@@]1(C(=O)OC)O[C@H](OC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O
InChIInChI=1S/C25H50O6Si/c1-7-11-12-13-14-15-16-17-18-19-20-25(24(27)29-6)22(26)21(23(28-5)30-25)31-32(8-2,9-3)10-4/h21-23,26H,7-20H2,1-6H3/t21-,22-,23-,25+/m0/s1
InChIKeyOIIRGVUNLACBCO-KELBGUDLSA-N
MW474.76 g/mol
LogP5.96
Rot. Bonds18

About methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate

methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate (PubChem CID 11454329) has the molecular formula C25H50O6Si and a molecular weight of 474.76 g/mol. Its IUPAC name is methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate
PubChem CID11454329
Molecular FormulaC25H50O6Si
Molecular Weight474.76 g/mol
Exact Mass474.34
IUPAC Namemethyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate
SMILESCCCCCCCCCCCC[C@@]1(C(=O)OC)O[C@H](OC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O
InChIInChI=1S/C25H50O6Si/c1-7-11-12-13-14-15-16-17-18-19-20-25(24(27)29-6)22(26)21(23(28-5)30-25)31-32(8-2,9-3)10-4/h21-23,26H,7-20H2,1-6H3/t21-,22-,23-,25+/m0/s1
InChIKeyOIIRGVUNLACBCO-KELBGUDLSA-N
XLogP5.96
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.76
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[(2S,5R)-5-[(2S)-5,5-diethoxy-2-hydroxypentan-2-yl]-2-ethyloxolan-2-yl]-2-hydroxyacetate
CID 134830572
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxy-5-triethylsilyloxypentanoate
CID 134971266
methyl (2R,3S,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 134971288
methyl (2R,3S,4S,5R)-3-butan-2-yloxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-5-triethylsilyloxypentanoate
CID 135012656
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932020
dimethyl (2R,3R)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 58409702
dimethyl (2S,3S)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybutyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 58409718
dimethyl (2S,3S)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 67083214
Dimethyl 2-[5-[1-[tert-butyl(dimethyl)silyl]oxyoctyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 67083216
dimethyl (2R,3R)-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxybutanedioate
CID 67083448
dimethyl (2S,3S)-2,3-dihydroxy-2-[(4R,5S)-5-[(4R)-2-[hydroxy(dimethyl)silyl]-2,6,8-trimethylnonan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]butanedioate
CID 68363366

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate?
The IUPAC name of methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate (CID 11454329) is methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate is CCCCCCCCCCCC[C@@]1(C(=O)OC)O[C@H](OC)[C@@H](O[Si](CC)(CC)CC)[C@@H]1O.
What is the InChIKey of methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate?
The InChIKey is OIIRGVUNLACBCO-KELBGUDLSA-N. The full InChI is InChI=1S/C25H50O6Si/c1-7-11-12-13-14-15-16-17-18-19-20-25(24(27)29-6)22(26)21(23(28-5)30-25)31-32(8-2,9-3)10-4/h21-23,26H,7-20H2,1-6H3/t21-,22-,23-,25+/m0/s1.
What are the key properties of methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate?
methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate has a molecular weight of 474.76 g/mol, XLogP of 5.96, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S,5S)-2-dodecyl-3-hydroxy-5-methoxy-4-triethylsilyloxyoxolane-2-carboxylate is sourced from PubChem (CID 11454329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).