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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Related Compounds

7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 130025959
6-Iodo-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 88877147
spiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]-3'a-carbaldehyde
CID 122635452
1',1'-Dimethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydroindene]-3'a-carbaldehyde
CID 134495929
Ethane;7-ethyl-8-methyl-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 145170727
9,12-Dioxadispiro[4.2.48.25]tetradec-13-en-4-one
CID 10058883
1,4-Dioxadispiro[4.2.58.25]pentadec-6-en-9-one
CID 10059413
1,4-Dioxadispiro[4.2.68.25]hexadec-6-en-9-one
CID 10421620
(2R)-2,6-dimethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hept-5-enal
CID 11322785
(1R,4R)-4-(2-methoxypropan-2-yloxy)-2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde
CID 21772448
2-[2-(2-Ethenyl-1,3-dioxolan-2-yl)ethyl]-2-ethyl-6-iodohexanal
CID 49794020
8-(Prop-2-en-1-yl)-1,4-dioxaspiro[4.5]dec-6-ene-8-carbaldehyde
CID 71372532

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).