[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate

C11H18O5 — CID 58100469

IUPAC[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H18O5/c1-11(5-3-4-6-11)16-10(13)8-15-9(12)7-14-2/h3-8H2,1-2H3
InChIKeyQZDCDNXYQLEDHE-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.05
Rot. Bonds5

About [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate

[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate (PubChem CID 58100469) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate
PubChem CID58100469
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)OC1(C)CCCC1
InChIInChI=1S/C11H18O5/c1-11(5-3-4-6-11)16-10(13)8-15-9(12)7-14-2/h3-8H2,1-2H3
InChIKeyQZDCDNXYQLEDHE-UHFFFAOYSA-N
XLogP1.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate (CID 58100469) is [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)OC1(C)CCCC1.
What is the InChIKey of [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate?
The InChIKey is QZDCDNXYQLEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-11(5-3-4-6-11)16-10(13)8-15-9(12)7-14-2/h3-8H2,1-2H3.
What are the key properties of [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate?
[2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate has a molecular weight of 230.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylcyclopentyl)oxy-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 58100469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).