3-ethenyl-3-methyl-6-oxaspiro[4.5]decane

C12H20O — CID 89148690

IUPAC3-ethenyl-3-methyl-6-oxaspiro[4.5]decane
SMILESC=CC1(C)CCC2(CCCCO2)C1
InChIInChI=1S/C12H20O/c1-3-11(2)7-8-12(10-11)6-4-5-9-13-12/h3H,1,4-10H2,2H3
InChIKeyUNVRRWOSXZZUDW-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds1

About 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane

3-ethenyl-3-methyl-6-oxaspiro[4.5]decane (PubChem CID 89148690) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethenyl-3-methyl-6-oxaspiro[4.5]decane
PubChem CID89148690
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name3-ethenyl-3-methyl-6-oxaspiro[4.5]decane
SMILESC=CC1(C)CCC2(CCCCO2)C1
InChIInChI=1S/C12H20O/c1-3-11(2)7-8-12(10-11)6-4-5-9-13-12/h3H,1,4-10H2,2H3
InChIKeyUNVRRWOSXZZUDW-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane 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 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane?
The IUPAC name of 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane (CID 89148690) is 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane?
The canonical SMILES for 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane is C=CC1(C)CCC2(CCCCO2)C1.
What is the InChIKey of 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane?
The InChIKey is UNVRRWOSXZZUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-11(2)7-8-12(10-11)6-4-5-9-13-12/h3H,1,4-10H2,2H3.
What are the key properties of 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane?
3-ethenyl-3-methyl-6-oxaspiro[4.5]decane has a molecular weight of 180.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 89148690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).