7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone

C9H8O6 — CID 91031833

IUPAC7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone
SMILESCC1CCC2(C(=O)OC1=O)C(=O)OC2=O
InChIInChI=1S/C9H8O6/c1-4-2-3-9(6(11)14-5(4)10)7(12)15-8(9)13/h4H,2-3H2,1H3
InChIKeyVDAYQLMNOFAIPE-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.44
Rot. Bonds

About 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone

7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone (PubChem CID 91031833) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone.

Molecular Properties

Compound Name7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone
PubChem CID91031833
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone
SMILESCC1CCC2(C(=O)OC1=O)C(=O)OC2=O
InChIInChI=1S/C9H8O6/c1-4-2-3-9(6(11)14-5(4)10)7(12)15-8(9)13/h4H,2-3H2,1H3
InChIKeyVDAYQLMNOFAIPE-UHFFFAOYSA-N
XLogP-0.44
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 140976692
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CID 87700453
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
CID 11062628
2-methyl-1,3-dioxaspiro[4.4]nonan-4-one
CID 131851932
3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
(3R)-3-methyloxan-2-one
CID 11804714
3,6-dimethyl-1,4-dioxane-2,5-dione;oxirane
CID 87489456
1-(bromomethyl)-8,8-dimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione
CID 16637017
(1S,2R,6R,7R)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 99945947
(1R,2S,6S,7S)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 9497647
(1S,2R,6S,7R)-1,2-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 10821706
6,10-dimethyl-2-oxaspiro[4.5]decane-1,3-dione
CID 43134859

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone?
The IUPAC name of 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone (CID 91031833) is 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone.
What is the SMILES notation for 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone?
The canonical SMILES for 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone is CC1CCC2(C(=O)OC1=O)C(=O)OC2=O.
What is the InChIKey of 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone?
The InChIKey is VDAYQLMNOFAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c1-4-2-3-9(6(11)14-5(4)10)7(12)15-8(9)13/h4H,2-3H2,1H3.
What are the key properties of 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone?
7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone has a molecular weight of 212.16 g/mol, XLogP of -0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone is sourced from PubChem (CID 91031833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).