6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione

C11H16O4 — CID 91493617

IUPAC6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
SMILESCC1(C)CCC(=O)C(=O)CC12OCCO2
InChIInChI=1S/C11H16O4/c1-10(2)4-3-8(12)9(13)7-11(10)14-5-6-15-11/h3-7H2,1-2H3
InChIKeyJSZRLBDRMJRFOI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.08
Rot. Bonds

About 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione

6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione (PubChem CID 91493617) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione.

Molecular Properties

Compound Name6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
PubChem CID91493617
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
SMILESCC1(C)CCC(=O)C(=O)CC12OCCO2
InChIInChI=1S/C11H16O4/c1-10(2)4-3-8(12)9(13)7-11(10)14-5-6-15-11/h3-7H2,1-2H3
InChIKeyJSZRLBDRMJRFOI-UHFFFAOYSA-N
XLogP1.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylcyclopentane-1,3-dione;9,9-dimethyl-1,4-dioxaspiro[4.4]nonan-8-one
CID 158688642
6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 146082096
(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one
CID 90861353
(7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 10750873
8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 135272614
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
(4'aR,8'S)-8'-hydroxy-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 24858136
13-methyl-1,4-dioxa-13-azadispiro[4.0.56.45]pentadecan-12-one
CID 54266863
(7E)-7-(dimethylaminomethylidene)-1,4-dioxaspiro[4.5]decan-8-one
CID 10846176
(7'aR)-7'a-methyl-4'-(phenylmethoxymethyl)spiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 118179616
7'a-methylspiro[1,3-dioxolane-2,1'-2,3,3a,4,6,7-hexahydroindene]-5'-one
CID 13412952
(4'aS,8'aS)-1',1',4'a-trimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-one
CID 12506826

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione?
The IUPAC name of 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione (CID 91493617) is 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione.
What is the SMILES notation for 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione?
The canonical SMILES for 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione is CC1(C)CCC(=O)C(=O)CC12OCCO2.
What is the InChIKey of 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione?
The InChIKey is JSZRLBDRMJRFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-10(2)4-3-8(12)9(13)7-11(10)14-5-6-15-11/h3-7H2,1-2H3.
What are the key properties of 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione?
6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione has a molecular weight of 212.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione is sourced from PubChem (CID 91493617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).