methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate

C15H24O6 — CID 22828442

IUPACmethyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
SMILESCOC[C@H]1C(OC2CCCCO2)CC(=O)[C@@H]1CC(=O)OC
InChIInChI=1S/C15H24O6/c1-18-9-11-10(7-14(17)19-2)12(16)8-13(11)21-15-5-3-4-6-20-15/h10-11,13,15H,3-9H2,1-2H3/t10-,11-,13?,15?/m1/s1
InChIKeyNMLYJXDYNYKHMW-HVYTVYHTSA-N
MW300.35 g/mol
LogP1.31
Rot. Bonds6

About methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate

methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate (PubChem CID 22828442) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
PubChem CID22828442
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namemethyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
SMILESCOC[C@H]1C(OC2CCCCO2)CC(=O)[C@@H]1CC(=O)OC
InChIInChI=1S/C15H24O6/c1-18-9-11-10(7-14(17)19-2)12(16)8-13(11)21-15-5-3-4-6-20-15/h10-11,13,15H,3-9H2,1-2H3/t10-,11-,13?,15?/m1/s1
InChIKeyNMLYJXDYNYKHMW-HVYTVYHTSA-N
XLogP1.31
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate with MolForge

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Related Compounds

methyl 2-[(1S,2R,3S)-3-(oxan-2-yloxy)-5-oxo-2-(phenylmethoxymethyl)cyclopentyl]acetate
CID 22828441
methyl 4-[(1S,2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(oxan-2-yloxy)-5-oxocyclopentyl]butanoate
CID 18632725
(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
CID 18605961
methyl 2-hydroxyacetate;2-(oxan-2-yloxy)oxane
CID 67915115
methyl (Z)-7-[(1R,2R,5S)-2-(5,5-difluoro-4-oxooctyl)-5-(oxan-2-yloxy)-3-oxocyclopentyl]hept-5-enoate
CID 131718006
methyl 7-[(1R,2R,3R)-2-(8-hydroxyoct-1-enyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]heptanoate
CID 70627792
methyl (Z)-7-[(1R,2S,3R)-2-(8-hydroxyoct-1-enyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]hept-5-enoate
CID 70628190
methyl 7-[(1R,2R,3R)-2-[(3S,5S)-5-methyl-3-(oxan-2-yloxy)oct-1-enyl]-3-(oxan-2-yloxy)-5-oxocyclopentyl]-6-oxoheptanoate
CID 57167631
methyl (Z)-2-bromo-4-[(1R,2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-3-(oxan-2-yloxy)cyclopentyl]but-2-enoate
CID 14894506
methyl 7-[(2S,3S,4R)-3-formyl-4-(oxan-2-yloxy)-1,1-dioxothiolan-2-yl]heptanoate
CID 88809047
methyl 2-[3-hydroxy-2-[(4S,5R)-5-(oxan-2-yloxy)-4-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]propoxy]acetate
CID 22840112
methyl 7-[(1R,2R,3R,5S)-5-acetyloxy-2-formyl-3-(oxan-2-yloxy)cyclopentyl]heptanoate
CID 11729034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate (CID 22828442) is methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate is COC[C@H]1C(OC2CCCCO2)CC(=O)[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
The InChIKey is NMLYJXDYNYKHMW-HVYTVYHTSA-N. The full InChI is InChI=1S/C15H24O6/c1-18-9-11-10(7-14(17)19-2)12(16)8-13(11)21-15-5-3-4-6-20-15/h10-11,13,15H,3-9H2,1-2H3/t10-,11-,13?,15?/m1/s1.
What are the key properties of methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate has a molecular weight of 300.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2S)-2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate is sourced from PubChem (CID 22828442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).