3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one

C11H16O3 — CID 11008851

IUPAC3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one
SMILESCCCC1C(=O)CCC(O)=C1C(C)=O
InChIInChI=1S/C11H16O3/c1-3-4-8-9(13)5-6-10(14)11(8)7(2)12/h8,14H,3-6H2,1-2H3
InChIKeyYJQTWOOGAICANZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.17
Rot. Bonds3

About 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one

3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one (PubChem CID 11008851) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one
PubChem CID11008851
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one
SMILESCCCC1C(=O)CCC(O)=C1C(C)=O
InChIInChI=1S/C11H16O3/c1-3-4-8-9(13)5-6-10(14)11(8)7(2)12/h8,14H,3-6H2,1-2H3
InChIKeyYJQTWOOGAICANZ-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one (CID 11008851) is 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one is CCCC1C(=O)CCC(O)=C1C(C)=O.
What is the InChIKey of 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one?
The InChIKey is YJQTWOOGAICANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-4-8-9(13)5-6-10(14)11(8)7(2)12/h8,14H,3-6H2,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one?
3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-propylcyclohex-3-en-1-one is sourced from PubChem (CID 11008851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).