3-ethyl-1,5-dioxaspiro[5.5]undecane

C11H20O2 — CID 20523725

IUPAC3-ethyl-1,5-dioxaspiro[5.5]undecane
SMILESCCC1COC2(CCCCC2)OC1
InChIInChI=1S/C11H20O2/c1-2-10-8-12-11(13-9-10)6-4-3-5-7-11/h10H,2-9H2,1H3
InChIKeyNAZGKKIFTOPQET-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.72
Rot. Bonds1

About 3-ethyl-1,5-dioxaspiro[5.5]undecane

3-ethyl-1,5-dioxaspiro[5.5]undecane (PubChem CID 20523725) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-1,5-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-1,5-dioxaspiro[5.5]undecane
PubChem CID20523725
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-1,5-dioxaspiro[5.5]undecane
SMILESCCC1COC2(CCCCC2)OC1
InChIInChI=1S/C11H20O2/c1-2-10-8-12-11(13-9-10)6-4-3-5-7-11/h10H,2-9H2,1H3
InChIKeyNAZGKKIFTOPQET-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dioxaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-1,5-dioxaspiro[5.5]undecane (CID 20523725) is 3-ethyl-1,5-dioxaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-1,5-dioxaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-1,5-dioxaspiro[5.5]undecane is CCC1COC2(CCCCC2)OC1.
What is the InChIKey of 3-ethyl-1,5-dioxaspiro[5.5]undecane?
The InChIKey is NAZGKKIFTOPQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-10-8-12-11(13-9-10)6-4-3-5-7-11/h10H,2-9H2,1H3.
What are the key properties of 3-ethyl-1,5-dioxaspiro[5.5]undecane?
3-ethyl-1,5-dioxaspiro[5.5]undecane has a molecular weight of 184.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dioxaspiro[5.5]undecane is sourced from PubChem (CID 20523725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).