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

C14H22O5 — CID 118225260

IUPACethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(CC(C)=O)CCC2(CC1)OCCO2
InChIInChI=1S/C14H22O5/c1-3-17-12(16)13(10-11(2)15)4-6-14(7-5-13)18-8-9-19-14/h3-10H2,1-2H3
InChIKeyQAVKHCVCGJAVJT-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.83
Rot. Bonds4

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

ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 118225260) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID118225260
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Nameethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1(CC(C)=O)CCC2(CC1)OCCO2
InChIInChI=1S/C14H22O5/c1-3-17-12(16)13(10-11(2)15)4-6-14(7-5-13)18-8-9-19-14/h3-10H2,1-2H3
InChIKeyQAVKHCVCGJAVJT-UHFFFAOYSA-N
XLogP1.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 118225260) is ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1(CC(C)=O)CCC2(CC1)OCCO2.
What is the InChIKey of ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is QAVKHCVCGJAVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-3-17-12(16)13(10-11(2)15)4-6-14(7-5-13)18-8-9-19-14/h3-10H2,1-2H3.
What are the key properties of ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 270.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-oxopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 118225260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).