2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde

C12H20O4 — CID 91473188

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde
SMILESCCOC(C=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4/c1-2-14-11(9-13)10-3-5-12(6-4-10)15-7-8-16-12/h9-11H,2-8H2,1H3
InChIKeyLWNLQCBJTJWSHV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.52
Rot. Bonds4

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde (PubChem CID 91473188) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde
PubChem CID91473188
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde
SMILESCCOC(C=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4/c1-2-14-11(9-13)10-3-5-12(6-4-10)15-7-8-16-12/h9-11H,2-8H2,1H3
InChIKeyLWNLQCBJTJWSHV-UHFFFAOYSA-N
XLogP1.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,4-Dioxaspiro[4.5]decan-8-yl)butanal
CID 53809838
1-(2-Cyclohexyl-1,3-dioxolan-2-yl)propan-1-one
CID 57111795
3-(1,4-Dioxaspiro[4.5]decan-8-yl)propanal
CID 59869044
Ethyl 8-(2-oxoethoxy)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 155177033
Ethyl 3-formyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 156693312
5-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanal
CID 174408367
ethyl (4R,5S,6R,8S,9S)-9-formyl-8-methoxy-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylate
CID 11120649
(5R,7R,8R,9S,10S)-8-(methoxymethoxy)-9,10-dimethyl-1,6-dioxaspiro[4.5]decane-7-carbaldehyde
CID 11311460
(4R,5S)-5-[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11953532
7-(2-Methoxyacetyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 165474396

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde (CID 91473188) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde is CCOC(C=O)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde?
The InChIKey is LWNLQCBJTJWSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-14-11(9-13)10-3-5-12(6-4-10)15-7-8-16-12/h9-11H,2-8H2,1H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde has a molecular weight of 228.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethoxyacetaldehyde is sourced from PubChem (CID 91473188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).