4-ethoxyspiro[4.5]decane-4-carbaldehyde

C13H22O2 — CID 130679876

IUPAC4-ethoxyspiro[4.5]decane-4-carbaldehyde
SMILESCCOC1(C=O)CCCC12CCCCC2
InChIInChI=1S/C13H22O2/c1-2-15-13(11-14)10-6-9-12(13)7-4-3-5-8-12/h11H,2-10H2,1H3
InChIKeyYMKIEGLEOLTTPW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.10
Rot. Bonds3

About 4-ethoxyspiro[4.5]decane-4-carbaldehyde

4-ethoxyspiro[4.5]decane-4-carbaldehyde (PubChem CID 130679876) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-ethoxyspiro[4.5]decane-4-carbaldehyde.

Molecular Properties

Compound Name4-ethoxyspiro[4.5]decane-4-carbaldehyde
PubChem CID130679876
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-ethoxyspiro[4.5]decane-4-carbaldehyde
SMILESCCOC1(C=O)CCCC12CCCCC2
InChIInChI=1S/C13H22O2/c1-2-15-13(11-14)10-6-9-12(13)7-4-3-5-8-12/h11H,2-10H2,1H3
InChIKeyYMKIEGLEOLTTPW-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 4-ethoxyspiro[4.5]decane-4-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 4-ethoxyspiro[4.5]decane-4-carbaldehyde?
The IUPAC name of 4-ethoxyspiro[4.5]decane-4-carbaldehyde (CID 130679876) is 4-ethoxyspiro[4.5]decane-4-carbaldehyde.
What is the SMILES notation for 4-ethoxyspiro[4.5]decane-4-carbaldehyde?
The canonical SMILES for 4-ethoxyspiro[4.5]decane-4-carbaldehyde is CCOC1(C=O)CCCC12CCCCC2.
What is the InChIKey of 4-ethoxyspiro[4.5]decane-4-carbaldehyde?
The InChIKey is YMKIEGLEOLTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-15-13(11-14)10-6-9-12(13)7-4-3-5-8-12/h11H,2-10H2,1H3.
What are the key properties of 4-ethoxyspiro[4.5]decane-4-carbaldehyde?
4-ethoxyspiro[4.5]decane-4-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 4-ethoxyspiro[4.5]decane-4-carbaldehyde is sourced from PubChem (CID 130679876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).