methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate

C13H22O5 — CID 11276916

IUPACmethyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](OC(C)(C)C)C[C@@](C)(OC)O1
InChIInChI=1S/C13H22O5/c1-12(2,3)17-9-7-10(11(14)15-5)18-13(4,8-9)16-6/h7,9H,8H2,1-6H3/t9-,13-/m0/s1
InChIKeyAXGQGVHSAPSAKT-ZANVPECISA-N
MW258.31 g/mol
LogP2.01
Rot. Bonds3

About methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate

methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate (PubChem CID 11276916) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate
PubChem CID11276916
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Namemethyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](OC(C)(C)C)C[C@@](C)(OC)O1
InChIInChI=1S/C13H22O5/c1-12(2,3)17-9-7-10(11(14)15-5)18-13(4,8-9)16-6/h7,9H,8H2,1-6H3/t9-,13-/m0/s1
InChIKeyAXGQGVHSAPSAKT-ZANVPECISA-N
XLogP2.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate with MolForge

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Related Compounds

[(2R,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-yl]methanol
CID 11736370
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11442337
methyl (2S,4S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4S)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
CID 11233569
dimethyl (2S,4R)-6-(4-cyanophenyl)-2-methoxy-2-methyl-3,4-dihydropyran-4,5-dicarboxylate
CID 139193683
methyl (4R,4aR,8aS)-8a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate
CID 59051940
methyl (4R,4aS,8aR)-8a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate
CID 10916444
methyl (1S,2S,6S,7R)-4,10,10-trimethoxy-2,4-dimethyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undec-8-ene-9-carboxylate
CID 15425726
methyl (4R,4aS,14aS)-14a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[b]pyran-2-carboxylate
CID 102021889
methyl 5-methoxy-4,4,5-trimethyl-2-oxooxolane-3-carboxylate
CID 10262742
methyl 2,3-dimethyl-2,3-dihydrofuran-5-carboxylate
CID 71394241
(4R)-2-iodo-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 131850482
methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
CID 14540627

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate?
The IUPAC name of methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate (CID 11276916) is methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate.
What is the SMILES notation for methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate?
The canonical SMILES for methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate is COC(=O)C1=C[C@H](OC(C)(C)C)C[C@@](C)(OC)O1.
What is the InChIKey of methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate?
The InChIKey is AXGQGVHSAPSAKT-ZANVPECISA-N. The full InChI is InChI=1S/C13H22O5/c1-12(2,3)17-9-7-10(11(14)15-5)18-13(4,8-9)16-6/h7,9H,8H2,1-6H3/t9-,13-/m0/s1.
What are the key properties of methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate?
methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate has a molecular weight of 258.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-2-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-3,4-dihydropyran-6-carboxylate is sourced from PubChem (CID 11276916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).