6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione

C20H26O5 — CID 16728700

IUPAC6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione
SMILESCOc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c(OC)c1
InChIInChI=1S/C20H26O5/c1-23-17-8-7-14(18(12-17)24-2)9-10-20(15-5-3-4-6-15)13-16(21)11-19(22)25-20/h7-8,12,15H,3-6,9-11,13H2,1-2H3
InChIKeyHZDRFIXZOVFBQV-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.47
Rot. Bonds6

About 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione

6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione (PubChem CID 16728700) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione.

Molecular Properties

Compound Name6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione
PubChem CID16728700
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione
SMILESCOc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c(OC)c1
InChIInChI=1S/C20H26O5/c1-23-17-8-7-14(18(12-17)24-2)9-10-20(15-5-3-4-6-15)13-16(21)11-19(22)25-20/h7-8,12,15H,3-6,9-11,13H2,1-2H3
InChIKeyHZDRFIXZOVFBQV-UHFFFAOYSA-N
XLogP3.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione
CID 16728838
6-cyclopentyl-6-[2-(2-ethyl-5-methoxy-4-pyridinyl)ethyl]oxane-2,4-dione
CID 58764056
6-cyclopentyl-6-[2-(4-hydroxy-3-propylphenyl)ethyl]oxane-2,4-dione
CID 58762314
6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]-3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]oxane-2,4-dione
CID 91319469
6-cyclopentyl-6-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]oxane-2,4-dione
CID 58764163
6-cyclopentyl-6-[2-[4-hydroxy-3-(2,2,2-trifluoroethyl)phenyl]ethyl]oxane-2,4-dione
CID 58762700
6-cyclopentyl-6-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]oxane-2,4-dione
CID 16728834
2-[2-(2,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-dione
CID 165345675
2-[4-[2-(2-cyclopentyl-4,6-dioxooxan-2-yl)ethyl]-2-(trifluoromethyl)phenyl]-2-ethylbutanenitrile
CID 58764147
6-cyclopentyl-6-ethyloxane-2,4-dione;(2-methylphenyl)methanol
CID 142827997
6-[2-[3-(1-amino-2-methylpropan-2-yl)phenyl]ethyl]-6-cyclopentyloxane-2,4-dione;2,2,2-trifluoroacetic acid
CID 68866329
acetylene;6-cyclopentyl-6-[(Z)-5-ethylimino-4-methoxy-3-methylpent-3-enyl]oxane-2,4-dione
CID 143183236

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione?
The IUPAC name of 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione (CID 16728700) is 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione.
What is the SMILES notation for 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione?
The canonical SMILES for 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione is COc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)c(OC)c1.
What is the InChIKey of 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione?
The InChIKey is HZDRFIXZOVFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-23-17-8-7-14(18(12-17)24-2)9-10-20(15-5-3-4-6-15)13-16(21)11-19(22)25-20/h7-8,12,15H,3-6,9-11,13H2,1-2H3.
What are the key properties of 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione?
6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione has a molecular weight of 346.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-6-[2-(2,4-dimethoxyphenyl)ethyl]oxane-2,4-dione is sourced from PubChem (CID 16728700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).