6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione

C19H20O3 — CID 10125515

IUPAC6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione
SMILESO=C1CC(=O)OC(CC#Cc2ccccc2)(C2CCCC2)C1
InChIInChI=1S/C19H20O3/c20-17-13-18(21)22-19(14-17,16-10-4-5-11-16)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16H,4-5,10-14H2
InChIKeyXUVQORSOEWXDTO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.26
Rot. Bonds2

About 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione

6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione (PubChem CID 10125515) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione.

Molecular Properties

Compound Name6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione
PubChem CID10125515
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione
SMILESO=C1CC(=O)OC(CC#Cc2ccccc2)(C2CCCC2)C1
InChIInChI=1S/C19H20O3/c20-17-13-18(21)22-19(14-17,16-10-4-5-11-16)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16H,4-5,10-14H2
InChIKeyXUVQORSOEWXDTO-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-isopropylphenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dione
CID 10471727
6-Cyclopentyl-6-[2-(4-isopropylphenyl)ethyl]tetrahydropyran-2,4-dione
CID 16076105
6-(3-chlorophenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dione
CID 16076107
6-(3-ethylphenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dione
CID 16076108
6-Cyclopentyl-6-phenethyl-tetrahydropyran-2,4-dione
CID 16076101
6-Cyclopentyl-6-[2-(m-tolyl)ethyl]tetrahydropyran-2,4-dione
CID 16076106
Trisphaerolide A
CID 11731811
Tert-butyl 1-benzyl-2-oxocyclopentane-1-carboxylate
CID 9970579
6-Cyclopentyl-6-[2-(3,4-difluorophenyl)ethyl]tetrahydropyran-2,4-dione
CID 16728714
6-[2-(4-Acetyl-3-fluoro-phenyl)ethyl]-6-cyclopentyl-tetrahydropyran-2,4-dione
CID 16728719
6-Cyclopentyl-6-[2-(3-isopropylphenyl)ethynyl]tetrahydropyran-2,4-dione
CID 10171993
6-Cyclopentyl-6-(4-phenylbut-3-ynyl)tetrahydropyran-2,4-dione
CID 16074351

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione?
The IUPAC name of 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione (CID 10125515) is 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione.
What is the SMILES notation for 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione?
The canonical SMILES for 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione is O=C1CC(=O)OC(CC#Cc2ccccc2)(C2CCCC2)C1.
What is the InChIKey of 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione?
The InChIKey is XUVQORSOEWXDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-17-13-18(21)22-19(14-17,16-10-4-5-11-16)12-6-9-15-7-2-1-3-8-15/h1-3,7-8,16H,4-5,10-14H2.
What are the key properties of 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione?
6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-6-(3-phenylprop-2-ynyl)oxane-2,4-dione is sourced from PubChem (CID 10125515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).