ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate

C10H16O5 — CID 15306207

IUPACethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(OCOC)C1=O
InChIInChI=1S/C10H16O5/c1-3-14-10(12)7-4-5-8(9(7)11)15-6-13-2/h7-8H,3-6H2,1-2H3
InChIKeyBFZAFUSGSTYCRJ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.52
Rot. Bonds5

About ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate

ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate (PubChem CID 15306207) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate
PubChem CID15306207
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nameethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(OCOC)C1=O
InChIInChI=1S/C10H16O5/c1-3-14-10(12)7-4-5-8(9(7)11)15-6-13-2/h7-8H,3-6H2,1-2H3
InChIKeyBFZAFUSGSTYCRJ-UHFFFAOYSA-N
XLogP0.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-methylpropyl)-2-oxocyclopentane-1-carboxylate
CID 117070605
ethyl 3-methyl-2-oxocycloheptane-1-carboxylate
CID 22173688
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
trans-ethyl (1R,4R)-4-methyl-2-oxocyclohexane-1-carboxylate
CID 854154
ethyl 2,4-dioxocyclohexane-1-carboxylate
CID 14961841
ethyl 3-methoxy-6-methyl-2-oxocyclohexane-1-carboxylate
CID 71386109
ethyl 2,3-dioxocyclopentane-1-carboxylate
CID 130026867
ethyl 2,4-dioxocyclohexane-1-carboxylate;methyl 2,4-dioxocyclohexane-1-carboxylate
CID 141245686
ethyl 3-(2-aminoethyl)-2-oxocyclododecane-1-carboxylate
CID 143751733
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
ethyl 1,5-dimethyl-4-oxopiperidine-3-carboxylate
CID 51358492
ethyl 1-benzyl-5-methoxy-4-oxopiperidine-3-carboxylate
CID 59314770

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate (CID 15306207) is ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate is CCOC(=O)C1CCC(OCOC)C1=O.
What is the InChIKey of ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate?
The InChIKey is BFZAFUSGSTYCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-14-10(12)7-4-5-8(9(7)11)15-6-13-2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate?
ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 15306207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).