4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

C9H12O3 — CID 54717027

IUPAC4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(O)C2(CCCCC2)O1
InChIInChI=1S/C9H12O3/c10-7-6-8(11)12-9(7)4-2-1-3-5-9/h6,10H,1-5H2
InChIKeyLQDMEYONSYGNMJ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.69
Rot. Bonds

About 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one

4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 54717027) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID54717027
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(O)C2(CCCCC2)O1
InChIInChI=1S/C9H12O3/c10-7-6-8(11)12-9(7)4-2-1-3-5-9/h6,10H,1-5H2
InChIKeyLQDMEYONSYGNMJ-UHFFFAOYSA-N
XLogP1.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one (CID 54717027) is 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(O)C2(CCCCC2)O1.
What is the InChIKey of 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is LQDMEYONSYGNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-6-8(11)12-9(7)4-2-1-3-5-9/h6,10H,1-5H2.
What are the key properties of 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one?
4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 54717027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).