6,6-dimethoxy-1-oxaspiro[2.5]octane

C9H16O3 — CID 165154845

IUPAC6,6-dimethoxy-1-oxaspiro[2.5]octane
SMILESCOC1(OC)CCC2(CC1)CO2
InChIInChI=1S/C9H16O3/c1-10-9(11-2)5-3-8(4-6-9)7-12-8/h3-7H2,1-2H3
InChIKeyLUGGMBLVXLGPAX-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.32
Rot. Bonds2

About 6,6-dimethoxy-1-oxaspiro[2.5]octane

6,6-dimethoxy-1-oxaspiro[2.5]octane (PubChem CID 165154845) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 6,6-dimethoxy-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6,6-dimethoxy-1-oxaspiro[2.5]octane
PubChem CID165154845
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name6,6-dimethoxy-1-oxaspiro[2.5]octane
SMILESCOC1(OC)CCC2(CC1)CO2
InChIInChI=1S/C9H16O3/c1-10-9(11-2)5-3-8(4-6-9)7-12-8/h3-7H2,1-2H3
InChIKeyLUGGMBLVXLGPAX-UHFFFAOYSA-N
XLogP1.32
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6,6-dimethoxy-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 6,6-dimethoxy-1-oxaspiro[2.5]octane?
The IUPAC name of 6,6-dimethoxy-1-oxaspiro[2.5]octane (CID 165154845) is 6,6-dimethoxy-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6,6-dimethoxy-1-oxaspiro[2.5]octane?
The canonical SMILES for 6,6-dimethoxy-1-oxaspiro[2.5]octane is COC1(OC)CCC2(CC1)CO2.
What is the InChIKey of 6,6-dimethoxy-1-oxaspiro[2.5]octane?
The InChIKey is LUGGMBLVXLGPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-10-9(11-2)5-3-8(4-6-9)7-12-8/h3-7H2,1-2H3.
What are the key properties of 6,6-dimethoxy-1-oxaspiro[2.5]octane?
6,6-dimethoxy-1-oxaspiro[2.5]octane has a molecular weight of 172.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-1-oxaspiro[2.5]octane is sourced from PubChem (CID 165154845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).