9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one

C11H16O3 — CID 89215775

IUPAC9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one
SMILESC=C1CC2(CCC(O)C2CC)OC1=O
InChIInChI=1S/C11H16O3/c1-3-8-9(12)4-5-11(8)6-7(2)10(13)14-11/h8-9,12H,2-6H2,1H3
InChIKeyCDPSQHCAWRGQFI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds1

About 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one

9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one (PubChem CID 89215775) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one
PubChem CID89215775
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one
SMILESC=C1CC2(CCC(O)C2CC)OC1=O
InChIInChI=1S/C11H16O3/c1-3-8-9(12)4-5-11(8)6-7(2)10(13)14-11/h8-9,12H,2-6H2,1H3
InChIKeyCDPSQHCAWRGQFI-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one (CID 89215775) is 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one is C=C1CC2(CCC(O)C2CC)OC1=O.
What is the InChIKey of 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is CDPSQHCAWRGQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-8-9(12)4-5-11(8)6-7(2)10(13)14-11/h8-9,12H,2-6H2,1H3.
What are the key properties of 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-8-hydroxy-3-methylidene-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 89215775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).