methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate

C15H24O6 — CID 13393830

IUPACmethyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
SMILESCOCC1C(OC2CCCCO2)CC(=O)C1CC(=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
InChIKeyNMLYJXDYNYKHMW-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.31
Rot. Bonds6

About methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate

methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate (PubChem CID 13393830) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
PubChem CID13393830
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namemethyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate
SMILESCOCC1C(OC2CCCCO2)CC(=O)C1CC(=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
InChIKeyNMLYJXDYNYKHMW-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
The IUPAC name of methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate (CID 13393830) is methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate.
What is the SMILES notation for methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
The canonical SMILES for methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate is COCC1C(OC2CCCCO2)CC(=O)C1CC(=O)OC.
What is the InChIKey of methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
The InChIKey is NMLYJXDYNYKHMW-UHFFFAOYSA-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.
What are the key properties of methyl 2-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate?
methyl 2-[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-[2-(methoxymethyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]acetate is sourced from PubChem (CID 13393830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).