6-oxaspiro[3.6]dec-2-ene

C9H14O — CID 91249084

IUPAC6-oxaspiro[3.6]dec-2-ene
SMILESC1=CC2(C1)CCCCOC2
InChIInChI=1S/C9H14O/c1-2-7-10-8-9(4-1)5-3-6-9/h3,5H,1-2,4,6-8H2
InChIKeyODWNQXOFGKGANU-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds

About 6-oxaspiro[3.6]dec-2-ene

6-oxaspiro[3.6]dec-2-ene (PubChem CID 91249084) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-oxaspiro[3.6]dec-2-ene.

Molecular Properties

Compound Name6-oxaspiro[3.6]dec-2-ene
PubChem CID91249084
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-oxaspiro[3.6]dec-2-ene
SMILESC1=CC2(C1)CCCCOC2
InChIInChI=1S/C9H14O/c1-2-7-10-8-9(4-1)5-3-6-9/h3,5H,1-2,4,6-8H2
InChIKeyODWNQXOFGKGANU-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-oxaspiro[3.6]dec-2-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 6-oxaspiro[3.6]dec-2-ene?
The IUPAC name of 6-oxaspiro[3.6]dec-2-ene (CID 91249084) is 6-oxaspiro[3.6]dec-2-ene.
What is the SMILES notation for 6-oxaspiro[3.6]dec-2-ene?
The canonical SMILES for 6-oxaspiro[3.6]dec-2-ene is C1=CC2(C1)CCCCOC2.
What is the InChIKey of 6-oxaspiro[3.6]dec-2-ene?
The InChIKey is ODWNQXOFGKGANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-7-10-8-9(4-1)5-3-6-9/h3,5H,1-2,4,6-8H2.
What are the key properties of 6-oxaspiro[3.6]dec-2-ene?
6-oxaspiro[3.6]dec-2-ene has a molecular weight of 138.21 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[3.6]dec-2-ene is sourced from PubChem (CID 91249084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).