1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde

C10H14O2 — CID 143730561

IUPAC1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde
SMILESO=CC1CCC2(CC=CO2)CC1
InChIInChI=1S/C10H14O2/c11-8-9-2-5-10(6-3-9)4-1-7-12-10/h1,7-9H,2-6H2
InChIKeyAYKQNKHCOGBFEY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.05
Rot. Bonds1

About 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde

1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde (PubChem CID 143730561) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde.

Molecular Properties

Compound Name1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde
PubChem CID143730561
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde
SMILESO=CC1CCC2(CC=CO2)CC1
InChIInChI=1S/C10H14O2/c11-8-9-2-5-10(6-3-9)4-1-7-12-10/h1,7-9H,2-6H2
InChIKeyAYKQNKHCOGBFEY-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde?
The IUPAC name of 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde (CID 143730561) is 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde.
What is the SMILES notation for 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde?
The canonical SMILES for 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde is O=CC1CCC2(CC=CO2)CC1.
What is the InChIKey of 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde?
The InChIKey is AYKQNKHCOGBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-8-9-2-5-10(6-3-9)4-1-7-12-10/h1,7-9H,2-6H2.
What are the key properties of 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde?
1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]dec-2-ene-8-carbaldehyde is sourced from PubChem (CID 143730561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).