8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one

C12H20O3 — CID 135272614

IUPAC8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCCC1CCC2(OCCO2)C(C)(C)C1=O
InChIInChI=1S/C12H20O3/c1-4-9-5-6-12(14-7-8-15-12)11(2,3)10(9)13/h9H,4-8H2,1-3H3
InChIKeyJTOPOPRYJKDJSY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.14
Rot. Bonds1

About 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one

8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 135272614) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID135272614
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESCCC1CCC2(OCCO2)C(C)(C)C1=O
InChIInChI=1S/C12H20O3/c1-4-9-5-6-12(14-7-8-15-12)11(2,3)10(9)13/h9H,4-8H2,1-3H3
InChIKeyJTOPOPRYJKDJSY-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

7'a-methylspiro[1,3-dioxolane-2,1'-2,3,3a,4,6,7-hexahydroindene]-5'-one
CID 13412952
4-ethyl-2,2-dimethylcyclohexane-1,3-dione
CID 67984878
(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
6,6-dimethyl-1,4-dioxaspiro[4.6]undecane-9,10-dione
CID 91493617
2,2-dimethylcyclopentane-1,3-dione;9,9-dimethyl-1,4-dioxaspiro[4.4]nonan-8-one
CID 158688642
(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
2-(5-ethyl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)-2-methyl-1,3-dioxolane
CID 59903954
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
CID 11062628
(4'aR,8'R)-8'-hydroxy-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 15624595
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione
CID 15402415
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867013
(4'aS,8'aS)-5',5',8'a-trimethyl-1'-oxospiro[1,3-dioxolane-2,6'-2,3,4,4a,7,8-hexahydronaphthalene]-2'-carbaldehyde
CID 88858959

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one (CID 135272614) is 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one is CCC1CCC2(OCCO2)C(C)(C)C1=O.
What is the InChIKey of 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is JTOPOPRYJKDJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-9-5-6-12(14-7-8-15-12)11(2,3)10(9)13/h9H,4-8H2,1-3H3.
What are the key properties of 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one?
8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 212.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 135272614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).