dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate

C33H66O8Si2 — CID 135020847

IUPACdimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
SMILESCCCCCCCCCCCC[C@@]1(C(=O)OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(O)C(=O)OC
InChIInChI=1S/C33H66O8Si2/c1-14-15-16-17-18-19-20-21-22-23-24-32(28(34)37-8)33(36,29(35)38-9)27(41-43(12,13)31(5,6)7)26(40-32)25-39-42(10,11)30(2,3)4/h26-27,36H,14-25H2,1-13H3/t26-,27-,32+,33+/m1/s1
InChIKeyKUPVQTXVFUZXIG-QGTOFTNVSA-N
MW647.05 g/mol
LogP7.92
Rot. Bonds18

About dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate

dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate (PubChem CID 135020847) has the molecular formula C33H66O8Si2 and a molecular weight of 647.05 g/mol. Its IUPAC name is dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
PubChem CID135020847
Molecular FormulaC33H66O8Si2
Molecular Weight647.05 g/mol
Exact Mass646.43
IUPAC Namedimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
SMILESCCCCCCCCCCCC[C@@]1(C(=O)OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(O)C(=O)OC
InChIInChI=1S/C33H66O8Si2/c1-14-15-16-17-18-19-20-21-22-23-24-32(28(34)37-8)33(36,29(35)38-9)27(41-43(12,13)31(5,6)7)26(40-32)25-39-42(10,11)30(2,3)4/h26-27,36H,14-25H2,1-13H3/t26-,27-,32+,33+/m1/s1
InChIKeyKUPVQTXVFUZXIG-QGTOFTNVSA-N
XLogP7.92
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.05
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate with MolForge

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Related Compounds

[(2S)-2-[(2S)-1-hydroxy-16-methyl-2-(14-methylpentadecanoyloxy)-3-oxoheptadecan-2-yl]-2-(14-methylpentadecanoyl)-4,5-dioxooxolan-3-yl] 14-methylpentadecanoate
CID 91301448
methyl 2-[(2S,3R,4R,5S,6S)-2-acetyl-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]acetate
CID 23631142
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-oxooxolane-2-carboxylate
CID 135020846
dimethyl (2R,3R,4R,5R)-2-dodecyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2,3-dicarboxylate
CID 135020848
methyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-ethenyl-3-hydroxyoxolane-2-carboxylate
CID 135020851
methyl (2S,3R,5R)-5-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-hydroxy-5-methyloxolane-2-carboxylate
CID 139038790
Trimethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-(2-hydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-1,2,7-tricarboxylate
CID 155931201
dimethyl (5R)-4-hydroxy-2,2-dimethyl-5-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932020
trimethyl (1S,2R,5R,7S)-2-[tert-butyl(dimethyl)silyl]oxy-5-(2-hydroxyethyl)-6,8-dioxabicyclo[3.2.1]octane-1,2,7-tricarboxylate
CID 168305638
1,3,10,11-tetrahydro-2,3,10,11-tetrahydroxy-brefeldin A
CID 24202575
dimethyl (2S,3S,4R)-4-dodecyl-3,4-dihydroxy-5-oxooxolane-2,3-dicarboxylate
CID 46224011
(5R)-5-[(17S)-17,19-dihydroxy-16,18-dioxotetratriacontan-17-yl]-3-hydroxyoxolane-2,4-dione
CID 53699061

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate (CID 135020847) is dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate is CCCCCCCCCCCC[C@@]1(C(=O)OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(O)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate?
The InChIKey is KUPVQTXVFUZXIG-QGTOFTNVSA-N. The full InChI is InChI=1S/C33H66O8Si2/c1-14-15-16-17-18-19-20-21-22-23-24-32(28(34)37-8)33(36,29(35)38-9)27(41-43(12,13)31(5,6)7)26(40-32)25-39-42(10,11)30(2,3)4/h26-27,36H,14-25H2,1-13H3/t26-,27-,32+,33+/m1/s1.
What are the key properties of dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate?
dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate has a molecular weight of 647.05 g/mol, XLogP of 7.92, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate is sourced from PubChem (CID 135020847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).