8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one

C10H12O4 — CID 15175270

IUPAC8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one
SMILESCC(=O)C1=C(C)OC2(CCC(=O)O2)C1
InChIInChI=1S/C10H12O4/c1-6(11)8-5-10(13-7(8)2)4-3-9(12)14-10/h3-5H2,1-2H3
InChIKeyGJKBRHJXFLLSKT-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.30
Rot. Bonds1

About 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one

8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one (PubChem CID 15175270) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one.

Molecular Properties

Compound Name8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one
PubChem CID15175270
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one
SMILESCC(=O)C1=C(C)OC2(CCC(=O)O2)C1
InChIInChI=1S/C10H12O4/c1-6(11)8-5-10(13-7(8)2)4-3-9(12)14-10/h3-5H2,1-2H3
InChIKeyGJKBRHJXFLLSKT-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one?
The IUPAC name of 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one (CID 15175270) is 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one.
What is the SMILES notation for 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one?
The canonical SMILES for 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one is CC(=O)C1=C(C)OC2(CCC(=O)O2)C1.
What is the InChIKey of 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one?
The InChIKey is GJKBRHJXFLLSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(11)8-5-10(13-7(8)2)4-3-9(12)14-10/h3-5H2,1-2H3.
What are the key properties of 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one?
8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one has a molecular weight of 196.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-methyl-1,6-dioxaspiro[4.4]non-7-en-2-one is sourced from PubChem (CID 15175270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).