8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane

C13H24O3 — CID 123388267

IUPAC8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane
SMILESCCOCC1(CC)CCC2(CC1)OCCO2
InChIInChI=1S/C13H24O3/c1-3-12(11-14-4-2)5-7-13(8-6-12)15-9-10-16-13/h3-11H2,1-2H3
InChIKeyKEZOIVQUAATVKE-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.74
Rot. Bonds4

About 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane

8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane (PubChem CID 123388267) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane
PubChem CID123388267
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane
SMILESCCOCC1(CC)CCC2(CC1)OCCO2
InChIInChI=1S/C13H24O3/c1-3-12(11-14-4-2)5-7-13(8-6-12)15-9-10-16-13/h3-11H2,1-2H3
InChIKeyKEZOIVQUAATVKE-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane (CID 123388267) is 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane is CCOCC1(CC)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is KEZOIVQUAATVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-12(11-14-4-2)5-7-13(8-6-12)15-9-10-16-13/h3-11H2,1-2H3.
What are the key properties of 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane?
8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 228.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 123388267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).