10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

C14H22O — CID 22219099

IUPAC10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
SMILESCCC1=CCCC(C)(C)C12C=CC(C)O2
InChIInChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyNHJSLVJXXDHDRV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds1

About 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene

10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene (PubChem CID 22219099) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene.

Molecular Properties

Compound Name10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
PubChem CID22219099
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene
SMILESCCC1=CCCC(C)(C)C12C=CC(C)O2
InChIInChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyNHJSLVJXXDHDRV-UHFFFAOYSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene 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 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
The IUPAC name of 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene (CID 22219099) is 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene.
What is the SMILES notation for 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
The canonical SMILES for 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene is CCC1=CCCC(C)(C)C12C=CC(C)O2.
What is the InChIKey of 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
The InChIKey is NHJSLVJXXDHDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-12-7-6-9-13(3,4)14(12)10-8-11(2)15-14/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene?
10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene has a molecular weight of 206.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-2,6,6-trimethyl-1-oxaspiro[4.5]deca-3,9-diene is sourced from PubChem (CID 22219099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).