2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one

C11H14O4 — CID 14952262

IUPAC2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=C(C(=O)C(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C11H14O4/c1-6(2)9(12)8-7(3)10(13)11(8)14-4-5-15-11/h6H,4-5H2,1-3H3
InChIKeyDAJYOCGAGSOQKY-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.85
Rot. Bonds2

About 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one

2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14952262) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14952262
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=C(C(=O)C(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C11H14O4/c1-6(2)9(12)8-7(3)10(13)11(8)14-4-5-15-11/h6H,4-5H2,1-3H3
InChIKeyDAJYOCGAGSOQKY-UHFFFAOYSA-N
XLogP0.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715019
2-Butyl-1-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715044
1-Butyl-2-tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715045
1-Acetyl-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14952261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14952262) is 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one is CC1=C(C(=O)C(C)C)C2(OCCO2)C1=O.
What is the InChIKey of 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is DAJYOCGAGSOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6(2)9(12)8-7(3)10(13)11(8)14-4-5-15-11/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 210.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropanoyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14952262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).