dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate

C20H36O8Si — CID 122399884

IUPACdimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate
SMILESCCCCC[C@H]1OC(C(=O)OC)=C(C(=O)OC)[C@@H](O[Si](C)(C)C)[C@]1(C)OCOC
InChIInChI=1S/C20H36O8Si/c1-9-10-11-12-14-20(2,26-13-23-3)17(28-29(6,7)8)15(18(21)24-4)16(27-14)19(22)25-5/h14,17H,9-13H2,1-8H3/t14-,17-,20-/m1/s1
InChIKeyISMXEHUSMJYMGY-WIBUTAKZSA-N
MW432.59 g/mol
LogP3.16
Rot. Bonds11

About dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate

dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate (PubChem CID 122399884) has the molecular formula C20H36O8Si and a molecular weight of 432.59 g/mol. Its IUPAC name is dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate
PubChem CID122399884
Molecular FormulaC20H36O8Si
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC Namedimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate
SMILESCCCCC[C@H]1OC(C(=O)OC)=C(C(=O)OC)[C@@H](O[Si](C)(C)C)[C@]1(C)OCOC
InChIInChI=1S/C20H36O8Si/c1-9-10-11-12-14-20(2,26-13-23-3)17(28-29(6,7)8)15(18(21)24-4)16(27-14)19(22)25-5/h14,17H,9-13H2,1-8H3/t14-,17-,20-/m1/s1
InChIKeyISMXEHUSMJYMGY-WIBUTAKZSA-N
XLogP3.16
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 (6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-9-methyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
CID 11235666
(6R)-2,6-anhydro-4-O-[tert-butyl(dimethyl)silyl]-3-deoxy-1-(methoxyamino)-3-(methoxycarbonyl)-5-O-(methoxymethyl)-5-C-methyl-6-pentyl-L-reythro-hex-2-enose
CID 54672715
ethyl (5S,6S,8R,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
CID 102210198
Ethyl 10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-4-oxo-8-propan-2-yl-1,7-dioxaspiro[5.5]undec-2-ene-2-carboxylate
CID 134969858
(2S,4R,4aS,10bR)-8-butyl-2-methoxy-9-propan-2-yloxy-4-[tri(propan-2-yl)silyloxymethyl]-1,2,4,4a,6,10b-hexahydropyrano[3,4-c]isochromene-7,10-dione
CID 10007740
(2S,4R,4aS,10bR)-2,8,9-trimethoxy-4-[tri(propan-2-yl)silyloxymethyl]-1,2,4,4a,6,10b-hexahydropyrano[3,4-c]isochromene-7,10-dione
CID 10255294
(1S,3R,4S,7S,9S,11S)-3,9-dimethoxy-4,11-bis(methoxymethoxy)-12,12-dimethyl-7-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]-6,17-dioxabicyclo[11.3.1]heptadec-13-ene-5,15-dione
CID 11308666
(1R,2S,4R,4aS,10bR)-8-butyl-1-deuterio-2-methoxy-9-propan-2-yloxy-4-[tri(propan-2-yl)silyloxymethyl]-1,2,4,4a,6,10b-hexahydropyrano[3,4-c]isochromene-7,10-dione
CID 11757327
(1S,3S,4S,7S,9S,11S)-3,9-dimethoxy-4,11-bis(methoxymethoxy)-12,12-dimethyl-7-[(Z,4R)-4-[tri(propan-2-yl)silyloxymethyl]hex-2-en-2-yl]-6,17-dioxabicyclo[11.3.1]heptadec-13-ene-5,15-dione
CID 15974851
dimethyl (2R,3R,4R)-4-hydroxy-3-(methoxymethoxy)-3-methyl-2-pentyl-2,4-dihydropyran-5,6-dicarboxylate
CID 54671503
dimethyl (2R,3R,4S)-4-hydroxy-3-(methoxymethoxy)-3-methyl-2-pentyl-2,4-dihydropyran-5,6-dicarboxylate
CID 54671504
dimethyl (2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-3-methyl-2-pentyl-2,4-dihydropyran-5,6-dicarboxylate
CID 54672631

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate?
The IUPAC name of dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate (CID 122399884) is dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate?
The canonical SMILES for dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate is CCCCC[C@H]1OC(C(=O)OC)=C(C(=O)OC)[C@@H](O[Si](C)(C)C)[C@]1(C)OCOC.
What is the InChIKey of dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate?
The InChIKey is ISMXEHUSMJYMGY-WIBUTAKZSA-N. The full InChI is InChI=1S/C20H36O8Si/c1-9-10-11-12-14-20(2,26-13-23-3)17(28-29(6,7)8)15(18(21)24-4)16(27-14)19(22)25-5/h14,17H,9-13H2,1-8H3/t14-,17-,20-/m1/s1.
What are the key properties of dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate?
dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate has a molecular weight of 432.59 g/mol, XLogP of 3.16, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R,4R)-3-(methoxymethoxy)-3-methyl-2-pentyl-4-trimethylsilyloxy-2,4-dihydropyran-5,6-dicarboxylate is sourced from PubChem (CID 122399884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).