8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde

C11H16O3 — CID 134922899

IUPAC8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESCCC1(C=O)C=CC2(CC1)OCCO2
InChIInChI=1S/C11H16O3/c1-2-10(9-12)3-5-11(6-4-10)13-7-8-14-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyRNDKORNZLPJJLH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds2

About 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde

8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (PubChem CID 134922899) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.

Molecular Properties

Compound Name8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
PubChem CID134922899
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
SMILESCCC1(C=O)C=CC2(CC1)OCCO2
InChIInChI=1S/C11H16O3/c1-2-10(9-12)3-5-11(6-4-10)13-7-8-14-11/h3,5,9H,2,4,6-8H2,1H3
InChIKeyRNDKORNZLPJJLH-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde (CID 134922899) is 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde.
What is the SMILES notation for 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The canonical SMILES for 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is CCC1(C=O)C=CC2(CC1)OCCO2.
What is the InChIKey of 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
The InChIKey is RNDKORNZLPJJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-10(9-12)3-5-11(6-4-10)13-7-8-14-11/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde?
8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde is sourced from PubChem (CID 134922899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).