methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate

C15H24O6 — CID 162397869

IUPACmethyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)C[C@H]1C[C@H](O)[C@@H](C)[C@@H](/C=C(/C)C(=O)OC)O1
InChIInChI=1S/C15H24O6/c1-5-20-14(17)8-11-7-12(16)10(3)13(21-11)6-9(2)15(18)19-4/h6,10-13,16H,5,7-8H2,1-4H3/b9-6-/t10-,11-,12+,13-/m1/s1
InChIKeyRYTKAYNTJKTPEF-FAVPBMAVSA-N
MW300.35 g/mol
LogP1.21
Rot. Bonds5

About methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate

methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate (PubChem CID 162397869) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate
PubChem CID162397869
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namemethyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)C[C@H]1C[C@H](O)[C@@H](C)[C@@H](/C=C(/C)C(=O)OC)O1
InChIInChI=1S/C15H24O6/c1-5-20-14(17)8-11-7-12(16)10(3)13(21-11)6-9(2)15(18)19-4/h6,10-13,16H,5,7-8H2,1-4H3/b9-6-/t10-,11-,12+,13-/m1/s1
InChIKeyRYTKAYNTJKTPEF-FAVPBMAVSA-N
XLogP1.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate with MolForge

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Related Compounds

methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
ethyl 2-[5-(iodomethyl)-4-methyloxolan-2-yl]acetate
CID 158184945
ethyl 2-[(2S,4S,6R)-4-hydroxy-6-phenyloxan-2-yl]acetate
CID 101247662
ethyl (Z)-3-[(2R,3R,4S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-4-phenylmethoxyoxan-2-yl]-2-methylprop-2-enoate
CID 10695384
4-O-(2-ethoxy-2-oxoethyl) 1-O-methyl (Z)-2-methylbut-2-enedioate
CID 139903712
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
ethyl (Z)-3-[(2S,3S,4R,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]-2-methylprop-2-enoate
CID 10883378
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
ethyl 2-(oxepan-2-yl)acetate
CID 14174537

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate?
The IUPAC name of methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate (CID 162397869) is methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate is CCOC(=O)C[C@H]1C[C@H](O)[C@@H](C)[C@@H](/C=C(/C)C(=O)OC)O1.
What is the InChIKey of methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate?
The InChIKey is RYTKAYNTJKTPEF-FAVPBMAVSA-N. The full InChI is InChI=1S/C15H24O6/c1-5-20-14(17)8-11-7-12(16)10(3)13(21-11)6-9(2)15(18)19-4/h6,10-13,16H,5,7-8H2,1-4H3/b9-6-/t10-,11-,12+,13-/m1/s1.
What are the key properties of methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate?
methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(2R,3R,4S,6R)-6-(2-ethoxy-2-oxoethyl)-4-hydroxy-3-methyloxan-2-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 162397869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).