5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane

C15H26O — CID 143303657

IUPAC5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane
SMILESC=CC1C(CC)C(CC)CC2(CO2)C1CC
InChIInChI=1S/C15H26O/c1-5-11-9-15(10-16-15)14(8-4)13(7-3)12(11)6-2/h7,11-14H,3,5-6,8-10H2,1-2,4H3
InChIKeyBGIVNUQMJUOVAW-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.04
Rot. Bonds4

About 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane

5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane (PubChem CID 143303657) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane
PubChem CID143303657
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane
SMILESC=CC1C(CC)C(CC)CC2(CO2)C1CC
InChIInChI=1S/C15H26O/c1-5-11-9-15(10-16-15)14(8-4)13(7-3)12(11)6-2/h7,11-14H,3,5-6,8-10H2,1-2,4H3
InChIKeyBGIVNUQMJUOVAW-UHFFFAOYSA-N
XLogP4.04
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane 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 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane?
The IUPAC name of 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane (CID 143303657) is 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane is C=CC1C(CC)C(CC)CC2(CO2)C1CC.
What is the InChIKey of 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane?
The InChIKey is BGIVNUQMJUOVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-5-11-9-15(10-16-15)14(8-4)13(7-3)12(11)6-2/h7,11-14H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane?
5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane has a molecular weight of 222.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,6,7-triethyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 143303657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).