8-ethoxyspiro[4.5]decane-8-carbaldehyde

C13H22O2 — CID 130679880

IUPAC8-ethoxyspiro[4.5]decane-8-carbaldehyde
SMILESCCOC1(C=O)CCC2(CCCC2)CC1
InChIInChI=1S/C13H22O2/c1-2-15-13(11-14)9-7-12(8-10-13)5-3-4-6-12/h11H,2-10H2,1H3
InChIKeyPUCGNGXUEJYJHF-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.10
Rot. Bonds3

About 8-ethoxyspiro[4.5]decane-8-carbaldehyde

8-ethoxyspiro[4.5]decane-8-carbaldehyde (PubChem CID 130679880) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 8-ethoxyspiro[4.5]decane-8-carbaldehyde.

Molecular Properties

Compound Name8-ethoxyspiro[4.5]decane-8-carbaldehyde
PubChem CID130679880
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name8-ethoxyspiro[4.5]decane-8-carbaldehyde
SMILESCCOC1(C=O)CCC2(CCCC2)CC1
InChIInChI=1S/C13H22O2/c1-2-15-13(11-14)9-7-12(8-10-13)5-3-4-6-12/h11H,2-10H2,1H3
InChIKeyPUCGNGXUEJYJHF-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-ethoxyspiro[4.5]decane-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 8-ethoxyspiro[4.5]decane-8-carbaldehyde?
The IUPAC name of 8-ethoxyspiro[4.5]decane-8-carbaldehyde (CID 130679880) is 8-ethoxyspiro[4.5]decane-8-carbaldehyde.
What is the SMILES notation for 8-ethoxyspiro[4.5]decane-8-carbaldehyde?
The canonical SMILES for 8-ethoxyspiro[4.5]decane-8-carbaldehyde is CCOC1(C=O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-ethoxyspiro[4.5]decane-8-carbaldehyde?
The InChIKey is PUCGNGXUEJYJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-15-13(11-14)9-7-12(8-10-13)5-3-4-6-12/h11H,2-10H2,1H3.
What are the key properties of 8-ethoxyspiro[4.5]decane-8-carbaldehyde?
8-ethoxyspiro[4.5]decane-8-carbaldehyde has a molecular weight of 210.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxyspiro[4.5]decane-8-carbaldehyde is sourced from PubChem (CID 130679880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).