4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one

C11H16O4 — CID 45095068

IUPAC4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
SMILESCCC1OC(C)(C)OC12C(=O)C=CC2O
InChIInChI=1S/C11H16O4/c1-4-9-11(15-10(2,3)14-9)7(12)5-6-8(11)13/h5-7,9,12H,4H2,1-3H3
InChIKeyBPZZCUZZSITNNJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.79
Rot. Bonds1

About 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one

4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one (PubChem CID 45095068) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Name4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
PubChem CID45095068
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
SMILESCCC1OC(C)(C)OC12C(=O)C=CC2O
InChIInChI=1S/C11H16O4/c1-4-9-11(15-10(2,3)14-9)7(12)5-6-8(11)13/h5-7,9,12H,4H2,1-3H3
InChIKeyBPZZCUZZSITNNJ-UHFFFAOYSA-N
XLogP0.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
The IUPAC name of 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one (CID 45095068) is 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one is CCC1OC(C)(C)OC12C(=O)C=CC2O.
What is the InChIKey of 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
The InChIKey is BPZZCUZZSITNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-9-11(15-10(2,3)14-9)7(12)5-6-8(11)13/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one has a molecular weight of 212.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 45095068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).