9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione

C9H12O4 — CID 87196475

IUPAC9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione
SMILESCC1CCOC2(CC(=O)OC2=O)C1
InChIInChI=1S/C9H12O4/c1-6-2-3-12-9(4-6)5-7(10)13-8(9)11/h6H,2-5H2,1H3
InChIKeyRESPJAYFVZIZLM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.65
Rot. Bonds

About 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione

9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione (PubChem CID 87196475) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione
PubChem CID87196475
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione
SMILESCC1CCOC2(CC(=O)OC2=O)C1
InChIInChI=1S/C9H12O4/c1-6-2-3-12-9(4-6)5-7(10)13-8(9)11/h6H,2-5H2,1H3
InChIKeyRESPJAYFVZIZLM-UHFFFAOYSA-N
XLogP0.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.65
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-2,6-dioxaspiro[4.5]decane-1,3-dione?
The IUPAC name of 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione (CID 87196475) is 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione is CC1CCOC2(CC(=O)OC2=O)C1.
What is the InChIKey of 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione?
The InChIKey is RESPJAYFVZIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-6-2-3-12-9(4-6)5-7(10)13-8(9)11/h6H,2-5H2,1H3.
What are the key properties of 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione?
9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione has a molecular weight of 184.19 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,6-dioxaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 87196475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).