4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one

C14H20O4 — CID 163066238

IUPAC4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one
SMILESCC(=O)C1(O)CCC(C)(C)C12C=C(O)C(=O)CC2
InChIInChI=1S/C14H20O4/c1-9(15)14(18)7-6-12(2,3)13(14)5-4-10(16)11(17)8-13/h8,17-18H,4-7H2,1-3H3
InChIKeyFYMHINMBSOOGLD-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds1

About 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one

4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one (PubChem CID 163066238) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one
PubChem CID163066238
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one
SMILESCC(=O)C1(O)CCC(C)(C)C12C=C(O)C(=O)CC2
InChIInChI=1S/C14H20O4/c1-9(15)14(18)7-6-12(2,3)13(14)5-4-10(16)11(17)8-13/h8,17-18H,4-7H2,1-3H3
InChIKeyFYMHINMBSOOGLD-UHFFFAOYSA-N
XLogP1.92
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one?
The IUPAC name of 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one (CID 163066238) is 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one?
The canonical SMILES for 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one is CC(=O)C1(O)CCC(C)(C)C12C=C(O)C(=O)CC2.
What is the InChIKey of 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one?
The InChIKey is FYMHINMBSOOGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(15)14(18)7-6-12(2,3)13(14)5-4-10(16)11(17)8-13/h8,17-18H,4-7H2,1-3H3.
What are the key properties of 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one?
4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one has a molecular weight of 252.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4,9-dihydroxy-1,1-dimethylspiro[4.5]dec-9-en-8-one is sourced from PubChem (CID 163066238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).