9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione

C10H14O4 — CID 143148723

IUPAC9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESCC1CCC2(CC1)OC(=O)CC(=O)O2
InChIInChI=1S/C10H14O4/c1-7-2-4-10(5-3-7)13-8(11)6-9(12)14-10/h7H,2-6H2,1H3
InChIKeyKQXBJGIGUFFNSI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.38
Rot. Bonds

About 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione

9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione (PubChem CID 143148723) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
PubChem CID143148723
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESCC1CCC2(CC1)OC(=O)CC(=O)O2
InChIInChI=1S/C10H14O4/c1-7-2-4-10(5-3-7)13-8(11)6-9(12)14-10/h7H,2-6H2,1H3
InChIKeyKQXBJGIGUFFNSI-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione (CID 143148723) is 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione is CC1CCC2(CC1)OC(=O)CC(=O)O2.
What is the InChIKey of 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The InChIKey is KQXBJGIGUFFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-2-4-10(5-3-7)13-8(11)6-9(12)14-10/h7H,2-6H2,1H3.
What are the key properties of 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione?
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 143148723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).