3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one

C10H16O2 — CID 536563

IUPAC3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one
SMILESCCC1=C(O)C(=O)C(C)(CC)C1
InChIInChI=1S/C10H16O2/c1-4-7-6-10(3,5-2)9(12)8(7)11/h11H,4-6H2,1-3H3
InChIKeyNSSAUSYPYCXNEG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds2

About 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one

3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one (PubChem CID 536563) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one
PubChem CID536563
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one
SMILESCCC1=C(O)C(=O)C(C)(CC)C1
InChIInChI=1S/C10H16O2/c1-4-7-6-10(3,5-2)9(12)8(7)11/h11H,4-6H2,1-3H3
InChIKeyNSSAUSYPYCXNEG-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one?
The IUPAC name of 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one (CID 536563) is 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one?
The canonical SMILES for 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one is CCC1=C(O)C(=O)C(C)(CC)C1.
What is the InChIKey of 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one?
The InChIKey is NSSAUSYPYCXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7-6-10(3,5-2)9(12)8(7)11/h11H,4-6H2,1-3H3.
What are the key properties of 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one?
3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-hydroxy-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 536563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).