2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione

C15H18O5 — CID 11346474

IUPAC2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione
SMILESCC(=O)CCC1=C(C)C(=O)O[C@H]1C1(C)C(=O)CCC1=O
InChIInChI=1S/C15H18O5/c1-8(16)4-5-10-9(2)14(19)20-13(10)15(3)11(17)6-7-12(15)18/h13H,4-7H2,1-3H3/t13-/m1/s1
InChIKeySVVVVWVABLFOES-CYBMUJFWSA-N
MW278.30 g/mol
LogP1.54
Rot. Bonds4

About 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione

2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione (PubChem CID 11346474) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione.

Molecular Properties

Compound Name2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione
PubChem CID11346474
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione
SMILESCC(=O)CCC1=C(C)C(=O)O[C@H]1C1(C)C(=O)CCC1=O
InChIInChI=1S/C15H18O5/c1-8(16)4-5-10-9(2)14(19)20-13(10)15(3)11(17)6-7-12(15)18/h13H,4-7H2,1-3H3/t13-/m1/s1
InChIKeySVVVVWVABLFOES-CYBMUJFWSA-N
XLogP1.54
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-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

4-methyl-5-[(2S,3S,4S)-4-methyl-5-oxo-3-(3-oxobutyl)oxolan-2-yl]cyclopent-4-ene-1,3-dione
CID 25180953
3-Deoxy-11,13-dihydroisosecotanapartholide
CID 12097068
[(1R,3aS)-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] acetate
CID 49818604
4-Methyl-5-[4-methyl-5-oxo-3-(3-oxobutyl)oxolan-2-yl]cyclopent-4-ene-1,3-dione
CID 74400476
Ethyl 7a-methyl-1,5-dioxo-2,3,6,7-tetrahydroindene-4-carboxylate
CID 135038857
diethyl (3aR)-6-(methoxymethyl)-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 135068520
ethyl (3aR,4R)-3a-methyl-2-oxo-4-propan-2-yl-3,4,5,6-tetrahydropentalene-1-carboxylate
CID 138979911
3-Methyl-5-(2-methyl-5-oxocyclopenten-1-yl)-4-(3-oxobutyl)oxolan-2-one
CID 162399469
Ethyl 2,3,3-trimethyl-6-oxocyclohexene-1-carboxylate
CID 5324005
methyl (1S,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-5-oxo-2,3,6,7-tetrahydro-1H-indene-4-carboxylate
CID 10923955
3-O-ethyl 1-O-methyl 2-methyl-5-oxo-3-(3-oxobutyl)cyclopentene-1,3-dicarboxylate
CID 176555339
Ethyl 1-(4-ethoxy-2-methyl-4-oxobut-2-enyl)-2-oxocyclopentane-1-carboxylate
CID 228872

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione?
The IUPAC name of 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione (CID 11346474) is 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione.
What is the SMILES notation for 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione?
The canonical SMILES for 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione is CC(=O)CCC1=C(C)C(=O)O[C@H]1C1(C)C(=O)CCC1=O.
What is the InChIKey of 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione?
The InChIKey is SVVVVWVABLFOES-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18O5/c1-8(16)4-5-10-9(2)14(19)20-13(10)15(3)11(17)6-7-12(15)18/h13H,4-7H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione?
2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione has a molecular weight of 278.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2R)-4-methyl-5-oxo-3-(3-oxobutyl)-2H-furan-2-yl]cyclopentane-1,3-dione is sourced from PubChem (CID 11346474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).