8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene

C12H20O — CID 177049602

IUPAC8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene
SMILESCC(C)C1=CCC2(CCCO2)CC1
InChIInChI=1S/C12H20O/c1-10(2)11-4-7-12(8-5-11)6-3-9-13-12/h4,10H,3,5-9H2,1-2H3
InChIKeyURFXJOGQMUKUIC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds1

About 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene

8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene (PubChem CID 177049602) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene
PubChem CID177049602
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene
SMILESCC(C)C1=CCC2(CCCO2)CC1
InChIInChI=1S/C12H20O/c1-10(2)11-4-7-12(8-5-11)6-3-9-13-12/h4,10H,3,5-9H2,1-2H3
InChIKeyURFXJOGQMUKUIC-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 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene 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 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene (CID 177049602) is 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene is CC(C)C1=CCC2(CCCO2)CC1.
What is the InChIKey of 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene?
The InChIKey is URFXJOGQMUKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10(2)11-4-7-12(8-5-11)6-3-9-13-12/h4,10H,3,5-9H2,1-2H3.
What are the key properties of 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene?
8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene 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 8-propan-2-yl-1-oxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 177049602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).