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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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).