5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one

C12H20O2 — CID 11521253

IUPAC5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=CC(=O)C(CCO)C1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-10-8-11(6-7-13)12(14)9-10/h9,11,13H,2-8H2,1H3
InChIKeyQNQXTFFUAHFDLC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds6

About 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one

5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one (PubChem CID 11521253) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one
PubChem CID11521253
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=CC(=O)C(CCO)C1
InChIInChI=1S/C12H20O2/c1-2-3-4-5-10-8-11(6-7-13)12(14)9-10/h9,11,13H,2-8H2,1H3
InChIKeyQNQXTFFUAHFDLC-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one?
The IUPAC name of 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one (CID 11521253) is 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one?
The canonical SMILES for 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one is CCCCCC1=CC(=O)C(CCO)C1.
What is the InChIKey of 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one?
The InChIKey is QNQXTFFUAHFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-4-5-10-8-11(6-7-13)12(14)9-10/h9,11,13H,2-8H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one?
5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 11521253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).