1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone

C10H14O3 — CID 13227207

IUPAC1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone
SMILESCC(=O)C1=C(C)OC2(CCCO2)C1
InChIInChI=1S/C10H14O3/c1-7(11)9-6-10(13-8(9)2)4-3-5-12-10/h3-6H2,1-2H3
InChIKeyVUWJVODATHFZHJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.78
Rot. Bonds1

About 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone

1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone (PubChem CID 13227207) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone
PubChem CID13227207
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone
SMILESCC(=O)C1=C(C)OC2(CCCO2)C1
InChIInChI=1S/C10H14O3/c1-7(11)9-6-10(13-8(9)2)4-3-5-12-10/h3-6H2,1-2H3
InChIKeyVUWJVODATHFZHJ-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone (CID 13227207) is 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone is CC(=O)C1=C(C)OC2(CCCO2)C1.
What is the InChIKey of 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone?
The InChIKey is VUWJVODATHFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)9-6-10(13-8(9)2)4-3-5-12-10/h3-6H2,1-2H3.
What are the key properties of 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone?
1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone has a molecular weight of 182.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,6-dioxaspiro[4.4]non-2-en-3-yl)ethanone is sourced from PubChem (CID 13227207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).