6-propan-2-ylidene-1-oxaspiro[2.5]octane

C10H16O — CID 118579377

IUPAC6-propan-2-ylidene-1-oxaspiro[2.5]octane
SMILESCC(C)=C1CCC2(CC1)CO2
InChIInChI=1S/C10H16O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h3-7H2,1-2H3
InChIKeySNAKINUPHFBNAF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds

About 6-propan-2-ylidene-1-oxaspiro[2.5]octane

6-propan-2-ylidene-1-oxaspiro[2.5]octane (PubChem CID 118579377) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-propan-2-ylidene-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-propan-2-ylidene-1-oxaspiro[2.5]octane
PubChem CID118579377
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-propan-2-ylidene-1-oxaspiro[2.5]octane
SMILESCC(C)=C1CCC2(CC1)CO2
InChIInChI=1S/C10H16O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h3-7H2,1-2H3
InChIKeySNAKINUPHFBNAF-UHFFFAOYSA-N
XLogP2.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
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 6-propan-2-ylidene-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 6-propan-2-ylidene-1-oxaspiro[2.5]octane?
The IUPAC name of 6-propan-2-ylidene-1-oxaspiro[2.5]octane (CID 118579377) is 6-propan-2-ylidene-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6-propan-2-ylidene-1-oxaspiro[2.5]octane?
The canonical SMILES for 6-propan-2-ylidene-1-oxaspiro[2.5]octane is CC(C)=C1CCC2(CC1)CO2.
What is the InChIKey of 6-propan-2-ylidene-1-oxaspiro[2.5]octane?
The InChIKey is SNAKINUPHFBNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h3-7H2,1-2H3.
What are the key properties of 6-propan-2-ylidene-1-oxaspiro[2.5]octane?
6-propan-2-ylidene-1-oxaspiro[2.5]octane has a molecular weight of 152.24 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylidene-1-oxaspiro[2.5]octane is sourced from PubChem (CID 118579377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).