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

C10H14O3 — CID 89215783

IUPAC8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one
SMILESC=C1CC2(CCC(O)C2C)OC1=O
InChIInChI=1S/C10H14O3/c1-6-5-10(13-9(6)12)4-3-8(11)7(10)2/h7-8,11H,1,3-5H2,2H3
InChIKeyYKDVLBOECXRIBD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.02
Rot. Bonds

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

8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one (PubChem CID 89215783) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one
PubChem CID89215783
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one
SMILESC=C1CC2(CCC(O)C2C)OC1=O
InChIInChI=1S/C10H14O3/c1-6-5-10(13-9(6)12)4-3-8(11)7(10)2/h7-8,11H,1,3-5H2,2H3
InChIKeyYKDVLBOECXRIBD-UHFFFAOYSA-N
XLogP1.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.02
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 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one (CID 89215783) is 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one is C=C1CC2(CCC(O)C2C)OC1=O.
What is the InChIKey of 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is YKDVLBOECXRIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-5-10(13-9(6)12)4-3-8(11)7(10)2/h7-8,11H,1,3-5H2,2H3.
What are the key properties of 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one?
8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-methyl-3-methylidene-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 89215783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).