6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one

C12H20O3 — CID 146082096

IUPAC6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC1(C)CC(=O)C(C)(C)C2(C1)OCCO2
InChIInChI=1S/C12H20O3/c1-10(2)7-9(13)11(3,4)12(8-10)14-5-6-15-12/h5-8H2,1-4H3
InChIKeyZWHMIFVMZUZJAU-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.14
Rot. Bonds

About 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one

6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 146082096) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID146082096
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCC1(C)CC(=O)C(C)(C)C2(C1)OCCO2
InChIInChI=1S/C12H20O3/c1-10(2)7-9(13)11(3,4)12(8-10)14-5-6-15-12/h5-8H2,1-4H3
InChIKeyZWHMIFVMZUZJAU-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
CID 91493617
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one
CID 165459405
(1R)-1,4,4-trimethyl-2-oxocyclopentane-1-carbaldehyde
CID 7057168
6,6-dimethylspiro[2.3]hexan-5-one
CID 178200675
(5'R)-5'-methylspiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]oct-1(7)-ene]-2'-one
CID 90861353
8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 135272614
(7'aR)-7'a-methylspiro[1,3-dioxolane-2,1'-2,3,6,7-tetrahydroindene]-5'-one
CID 10750873
2,2-dimethyloxolan-3-one
CID 13010294
(1'S,4'R,7'S)-7'-hydroxy-1',4'-dimethylspiro[1,3-dioxolane-2,8'-bicyclo[2.2.2]oct-5-ene]-2'-one
CID 51050611
(3S)-3-methoxy-2,2,3-trimethylcyclobutan-1-one
CID 96581858

Frequently Asked Questions

What is the IUPAC name of 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one (CID 146082096) is 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one is CC1(C)CC(=O)C(C)(C)C2(C1)OCCO2.
What is the InChIKey of 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is ZWHMIFVMZUZJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2)7-9(13)11(3,4)12(8-10)14-5-6-15-12/h5-8H2,1-4H3.
What are the key properties of 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one?
6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 212.29 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9,9-tetramethyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 146082096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).