9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone

C10H10O6 — CID 88688599

IUPAC9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone
SMILESCC1CC(=O)OC2(CC(=O)OC2=O)C(=O)C1
InChIInChI=1S/C10H10O6/c1-5-2-6(11)10(16-7(12)3-5)4-8(13)15-9(10)14/h5H,2-4H2,1H3
InChIKeyKDJGZSYQCOMHDW-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.26
Rot. Bonds

About 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone

9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone (PubChem CID 88688599) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone.

Molecular Properties

Compound Name9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone
PubChem CID88688599
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone
SMILESCC1CC(=O)OC2(CC(=O)OC2=O)C(=O)C1
InChIInChI=1S/C10H10O6/c1-5-2-6(11)10(16-7(12)3-5)4-8(13)15-9(10)14/h5H,2-4H2,1H3
InChIKeyKDJGZSYQCOMHDW-UHFFFAOYSA-N
XLogP-0.26
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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[4.6]undecane-1,3,7,11-tetrone?
The IUPAC name of 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone (CID 88688599) is 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone.
What is the SMILES notation for 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone?
The canonical SMILES for 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone is CC1CC(=O)OC2(CC(=O)OC2=O)C(=O)C1.
What is the InChIKey of 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone?
The InChIKey is KDJGZSYQCOMHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-5-2-6(11)10(16-7(12)3-5)4-8(13)15-9(10)14/h5H,2-4H2,1H3.
What are the key properties of 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone?
9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone has a molecular weight of 226.18 g/mol, XLogP of -0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,6-dioxaspiro[4.6]undecane-1,3,7,11-tetrone is sourced from PubChem (CID 88688599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).