1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene

C12H20O2 — CID 66600601

IUPAC1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene
SMILESCOC1OCCCC12CCC=CC2C
InChIInChI=1S/C12H20O2/c1-10-6-3-4-7-12(10)8-5-9-14-11(12)13-2/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyBLLRSHYOIRZJQJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.74
Rot. Bonds1

About 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene

1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene (PubChem CID 66600601) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene
PubChem CID66600601
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene
SMILESCOC1OCCCC12CCC=CC2C
InChIInChI=1S/C12H20O2/c1-10-6-3-4-7-12(10)8-5-9-14-11(12)13-2/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyBLLRSHYOIRZJQJ-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-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 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene?
The IUPAC name of 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene (CID 66600601) is 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene?
The canonical SMILES for 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene is COC1OCCCC12CCC=CC2C.
What is the InChIKey of 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene?
The InChIKey is BLLRSHYOIRZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-10-6-3-4-7-12(10)8-5-9-14-11(12)13-2/h3,6,10-11H,4-5,7-9H2,1-2H3.
What are the key properties of 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene?
1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene has a molecular weight of 196.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-11-methyl-2-oxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 66600601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).