ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate

C13H20O6 — CID 155177033

IUPACethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(OCC=O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H20O6/c1-2-16-11(15)12(17-8-7-14)3-5-13(6-4-12)18-9-10-19-13/h7H,2-6,8-10H2,1H3
InChIKeySNPORKHZAFDVNJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.82
Rot. Bonds5

About ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 155177033) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID155177033
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Nameethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(OCC=O)CCC2(CC1)OCCO2
InChIInChI=1S/C13H20O6/c1-2-16-11(15)12(17-8-7-14)3-5-13(6-4-12)18-9-10-19-13/h7H,2-6,8-10H2,1H3
InChIKeySNPORKHZAFDVNJ-UHFFFAOYSA-N
XLogP0.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 155177033) is ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(OCC=O)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is SNPORKHZAFDVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-2-16-11(15)12(17-8-7-14)3-5-13(6-4-12)18-9-10-19-13/h7H,2-6,8-10H2,1H3.
What are the key properties of ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 155177033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).