ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

C13H22O4 — CID 71048271

IUPACethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1CCC2(OCCO2)C(CC)C1
InChIInChI=1S/C13H22O4/c1-3-11-9-10(12(14)15-4-2)5-6-13(11)16-7-8-17-13/h10-11H,3-9H2,1-2H3
InChIKeyYOKXHHKZFFFGIA-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.12
Rot. Bonds3

About ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate

ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (PubChem CID 71048271) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
PubChem CID71048271
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Nameethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)C1CCC2(OCCO2)C(CC)C1
InChIInChI=1S/C13H22O4/c1-3-11-9-10(12(14)15-4-2)5-6-13(11)16-7-8-17-13/h10-11H,3-9H2,1-2H3
InChIKeyYOKXHHKZFFFGIA-UHFFFAOYSA-N
XLogP2.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate (CID 71048271) is ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is CCOC(=O)C1CCC2(OCCO2)C(CC)C1.
What is the InChIKey of ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
The InChIKey is YOKXHHKZFFFGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-3-11-9-10(12(14)15-4-2)5-6-13(11)16-7-8-17-13/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate?
ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate has a molecular weight of 242.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71048271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).