10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione

C15H20O3 — CID 71393323

IUPAC10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione
SMILESCC(C)COC1=CCCC2(C=CC(=O)CC2)C1=O
InChIInChI=1S/C15H20O3/c1-11(2)10-18-13-4-3-7-15(14(13)17)8-5-12(16)6-9-15/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyFUKNUVGCJDOREN-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.81
Rot. Bonds3

About 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione

10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione (PubChem CID 71393323) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione.

Molecular Properties

Compound Name10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione
PubChem CID71393323
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione
SMILESCC(C)COC1=CCCC2(C=CC(=O)CC2)C1=O
InChIInChI=1S/C15H20O3/c1-11(2)10-18-13-4-3-7-15(14(13)17)8-5-12(16)6-9-15/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyFUKNUVGCJDOREN-UHFFFAOYSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione?
The IUPAC name of 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione (CID 71393323) is 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione.
What is the SMILES notation for 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione?
The canonical SMILES for 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione is CC(C)COC1=CCCC2(C=CC(=O)CC2)C1=O.
What is the InChIKey of 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione?
The InChIKey is FUKNUVGCJDOREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)10-18-13-4-3-7-15(14(13)17)8-5-12(16)6-9-15/h4-5,8,11H,3,6-7,9-10H2,1-2H3.
What are the key properties of 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione?
10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione has a molecular weight of 248.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylpropoxy)spiro[5.5]undeca-4,9-diene-3,11-dione is sourced from PubChem (CID 71393323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).