2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one

C11H14O3 — CID 51354078

IUPAC2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1(C)CCC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-10(13-2)7-8-11(14-10)5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyLHFIVWCYBQYQBR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds1

About 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one

2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 51354078) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID51354078
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1(C)CCC2(C=CC(=O)C=C2)O1
InChIInChI=1S/C11H14O3/c1-10(13-2)7-8-11(14-10)5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKeyLHFIVWCYBQYQBR-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one 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 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 51354078) is 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one is COC1(C)CCC2(C=CC(=O)C=C2)O1.
What is the InChIKey of 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is LHFIVWCYBQYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-10(13-2)7-8-11(14-10)5-3-9(12)4-6-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one?
2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 51354078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).