8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one

C8H10O3 — CID 54708765

IUPAC8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one
SMILESCC1=C(O)C2(CCC2)OC1=O
InChIInChI=1S/C8H10O3/c1-5-6(9)8(3-2-4-8)11-7(5)10/h9H,2-4H2,1H3
InChIKeyOVBYEFXRKGNVKS-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.30
Rot. Bonds

About 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one

8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one (PubChem CID 54708765) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one.

Molecular Properties

Compound Name8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one
PubChem CID54708765
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one
SMILESCC1=C(O)C2(CCC2)OC1=O
InChIInChI=1S/C8H10O3/c1-5-6(9)8(3-2-4-8)11-7(5)10/h9H,2-4H2,1H3
InChIKeyOVBYEFXRKGNVKS-UHFFFAOYSA-N
XLogP1.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-4-hydroxy-5,5-dimethylfuran-2-one
CID 54709928
4-Hydroxy-3,5,5-trimethylfuran-2(5H)-one
CID 54716621
(5S)-4-hydroxy-3,5-dimethyl-5-pentylfuran-2-one
CID 54710525
(2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one
CID 54719520
(2R)-4-ethyl-3-hydroxy-2-propyl-2H-furan-5-one
CID 101940479

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one?
The IUPAC name of 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one (CID 54708765) is 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one.
What is the SMILES notation for 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one?
The canonical SMILES for 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one is CC1=C(O)C2(CCC2)OC1=O.
What is the InChIKey of 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one?
The InChIKey is OVBYEFXRKGNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-6(9)8(3-2-4-8)11-7(5)10/h9H,2-4H2,1H3.
What are the key properties of 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one?
8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one has a molecular weight of 154.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-methyl-5-oxaspiro[3.4]oct-7-en-6-one is sourced from PubChem (CID 54708765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).