2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

C13H18O2 — CID 6428985

IUPAC2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
SMILESCC1=CC=CC(C)(C)C12CC(=O)C(C)O2
InChIInChI=1S/C13H18O2/c1-9-6-5-7-12(3,4)13(9)8-11(14)10(2)15-13/h5-7,10H,8H2,1-4H3
InChIKeyXGVYEIAYIQAWHE-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.65
Rot. Bonds

About 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one

2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one (PubChem CID 6428985) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one.

Molecular Properties

Compound Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
PubChem CID6428985
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one
SMILESCC1=CC=CC(C)(C)C12CC(=O)C(C)O2
InChIInChI=1S/C13H18O2/c1-9-6-5-7-12(3,4)13(9)8-11(14)10(2)15-13/h5-7,10H,8H2,1-4H3
InChIKeyXGVYEIAYIQAWHE-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one?
The IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one (CID 6428985) is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one.
What is the SMILES notation for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one?
The canonical SMILES for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one is CC1=CC=CC(C)(C)C12CC(=O)C(C)O2.
What is the InChIKey of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one?
The InChIKey is XGVYEIAYIQAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-6-5-7-12(3,4)13(9)8-11(14)10(2)15-13/h5-7,10H,8H2,1-4H3.
What are the key properties of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one?
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one has a molecular weight of 206.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-7,9-dien-3-one is sourced from PubChem (CID 6428985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).