methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate

C17H24O4 — CID 25180523

IUPACmethyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1O[C@@H](C)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-12-9-10-15(16(21-12)13(2)17(18)19-3)20-11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t12-,13+,15-,16+/m0/s1
InChIKeyFEYOVRYOJVMBDJ-LQKXBSAESA-N
MW292.38 g/mol
LogP2.95
Rot. Bonds5

About methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate

methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate (PubChem CID 25180523) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
PubChem CID25180523
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namemethyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1O[C@@H](C)CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-12-9-10-15(16(21-12)13(2)17(18)19-3)20-11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t12-,13+,15-,16+/m0/s1
InChIKeyFEYOVRYOJVMBDJ-LQKXBSAESA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate with MolForge

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Related Compounds

1-[(2R,3S,6R)-6-methyl-3-phenylmethoxyoxan-2-yl]propan-2-one
CID 11032697
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
benzyl 2-(3-methyloxolan-2-yl)propanoate
CID 166754558
(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol
CID 11011793
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-methyl-6-phenylmethoxyoxane
CID 85344658
2-[(2S,3S,5S)-5-methyl-3-phenylmethoxyoxolan-2-yl]acetic acid
CID 23726629
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
3-(5-methyloxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 103873100
methyl (2S)-2-hydroxy-2-[(2R,3S,4R)-5-oxo-3,4-bis(phenylmethoxy)oxolan-2-yl]acetate
CID 102573561
methyl 2-[(2S,3S,4R,5R,6R)-6-(aminomethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 11145593
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate (CID 25180523) is methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate is COC(=O)[C@H](C)[C@H]1O[C@@H](C)CC[C@@H]1OCc1ccccc1.
What is the InChIKey of methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate?
The InChIKey is FEYOVRYOJVMBDJ-LQKXBSAESA-N. The full InChI is InChI=1S/C17H24O4/c1-12-9-10-15(16(21-12)13(2)17(18)19-3)20-11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t12-,13+,15-,16+/m0/s1.
What are the key properties of methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate?
methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate has a molecular weight of 292.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R,3S,6S)-6-methyl-3-phenylmethoxyoxan-2-yl]propanoate is sourced from PubChem (CID 25180523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).