methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate

C17H24O4 — CID 102465972

IUPACmethyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@H](C)[C@@H](OC)O[C@H]1CCc1ccccc1
InChIInChI=1S/C17H24O4/c1-12-14(11-16(18)19-2)15(21-17(12)20-3)10-9-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14+,15-,17-/m0/s1
InChIKeyJALRZERXTYATMZ-GUSZCTEKSA-N
MW292.37 g/mol
LogP2.81
Rot. Bonds6

About methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate

methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate (PubChem CID 102465972) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate
PubChem CID102465972
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Namemethyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@H](C)[C@@H](OC)O[C@H]1CCc1ccccc1
InChIInChI=1S/C17H24O4/c1-12-14(11-16(18)19-2)15(21-17(12)20-3)10-9-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14+,15-,17-/m0/s1
InChIKeyJALRZERXTYATMZ-GUSZCTEKSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2R,6R)-4-methylidene-6-(2-phenylethyl)oxan-2-yl]acetate
CID 102186278
3-[(3S,6S)-4-(carboxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-2-yl]propanoic acid
CID 134866369
methyl 2-[(4R,6R)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]acetate
CID 10541678
N-[(2R,3R,4S,5S,6S)-5-methyl-2,4-bis(2-phenylethyl)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 71300186
(2S,4S,5S)-4-ethyl-2-methoxy-3,5-dimethyl-6-(phenylmethoxymethyl)oxane
CID 167640329
1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
methyl (2S,3S,4R,5R,6S)-3,5-dimethyl-6-(2-phenylethyl)-4-triethylsilyloxyoxane-2-carboxylate
CID 140807471
[(2S,5R,6S)-2-tert-butyl-5-methyl-6-(2-phenylethyl)-1,3-dioxan-4-yl] acetate
CID 10903298
(2R,3R)-2-(methoxymethyl)-3-(2-phenylethyl)oxirane
CID 131860879
methyl 2-[(2S,3R,5R)-2,5-bis(2-phenylethyl)oxolan-3-yl]prop-2-enoate
CID 134940795

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate?
The IUPAC name of methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate (CID 102465972) is methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate is COC(=O)C[C@@H]1[C@H](C)[C@@H](OC)O[C@H]1CCc1ccccc1.
What is the InChIKey of methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate?
The InChIKey is JALRZERXTYATMZ-GUSZCTEKSA-N. The full InChI is InChI=1S/C17H24O4/c1-12-14(11-16(18)19-2)15(21-17(12)20-3)10-9-13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14+,15-,17-/m0/s1.
What are the key properties of methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate?
methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate has a molecular weight of 292.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3R,4S,5S)-5-methoxy-4-methyl-2-(2-phenylethyl)oxolan-3-yl]acetate is sourced from PubChem (CID 102465972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).