1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde

C9H12O3 — CID 14753677

IUPAC1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
SMILESO=CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C9H12O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h1,7H,2-6H2
InChIKeyAWBSZGVCLQGHIZ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.04
Rot. Bonds1

About 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde

1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde (PubChem CID 14753677) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
PubChem CID14753677
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
SMILESO=CC1=CCC2(CC1)OCCO2
InChIInChI=1S/C9H12O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h1,7H,2-6H2
InChIKeyAWBSZGVCLQGHIZ-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The IUPAC name of 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde (CID 14753677) is 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde.
What is the SMILES notation for 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The canonical SMILES for 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde is O=CC1=CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
The InChIKey is AWBSZGVCLQGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h1,7H,2-6H2.
What are the key properties of 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde?
1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde has a molecular weight of 168.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde is sourced from PubChem (CID 14753677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).