8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione

C10H14O4 — CID 91048871

IUPAC8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione
SMILESCC1CCCC2(OC(=O)CCC2=O)O1
InChIInChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h7H,2-6H2,1H3
InChIKeyABIBGQNZHPIVGH-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.18
Rot. Bonds

About 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione

8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione (PubChem CID 91048871) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione
PubChem CID91048871
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione
SMILESCC1CCCC2(OC(=O)CCC2=O)O1
InChIInChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h7H,2-6H2,1H3
InChIKeyABIBGQNZHPIVGH-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione (CID 91048871) is 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione is CC1CCCC2(OC(=O)CCC2=O)O1.
What is the InChIKey of 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione?
The InChIKey is ABIBGQNZHPIVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-3-2-6-10(13-7)8(11)4-5-9(12)14-10/h7H,2-6H2,1H3.
What are the key properties of 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione?
8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione has a molecular weight of 198.22 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,7-dioxaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 91048871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).