methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate

C14H16O5 — CID 23255946

IUPACmethyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](OCc2ccccc2)CC(=O)O1
InChIInChI=1S/C14H16O5/c1-17-14(16)12-7-11(8-13(15)19-12)18-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyLZWBACGDIAAWFR-VXGBXAGGSA-N
MW264.28 g/mol
LogP1.45
Rot. Bonds4

About methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate

methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate (PubChem CID 23255946) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate
PubChem CID23255946
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](OCc2ccccc2)CC(=O)O1
InChIInChI=1S/C14H16O5/c1-17-14(16)12-7-11(8-13(15)19-12)18-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m1/s1
InChIKeyLZWBACGDIAAWFR-VXGBXAGGSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-phenylmethoxyoxolan-2-one
CID 143867154
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
methyl 4-[bis(phenylmethoxy)phosphorylmethyl]-5-oxooxolane-2-carboxylate
CID 123529663
methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
CID 155424697
methyl (2R,3aR,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 101233499
methyl (2R,3aS,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018494
methyl 4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018378
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
8,9-bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate?
The IUPAC name of methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate (CID 23255946) is methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate?
The canonical SMILES for methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate is COC(=O)[C@H]1C[C@@H](OCc2ccccc2)CC(=O)O1.
What is the InChIKey of methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate?
The InChIKey is LZWBACGDIAAWFR-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H16O5/c1-17-14(16)12-7-11(8-13(15)19-12)18-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate?
methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-6-oxo-4-phenylmethoxyoxane-2-carboxylate is sourced from PubChem (CID 23255946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).