4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid

C15H20O4 — CID 139587346

IUPAC4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid
SMILESC[C@H](CC1=C(C(=O)O)COC1=O)C1=CCC(C)(C)C1
InChIInChI=1S/C15H20O4/c1-9(10-4-5-15(2,3)7-10)6-11-12(13(16)17)8-19-14(11)18/h4,9H,5-8H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyOZQQHYHARGIDIF-SECBINFHSA-N
MW264.32 g/mol
LogP2.70
Rot. Bonds4

About 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid

4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid (PubChem CID 139587346) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid
PubChem CID139587346
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid
SMILESC[C@H](CC1=C(C(=O)O)COC1=O)C1=CCC(C)(C)C1
InChIInChI=1S/C15H20O4/c1-9(10-4-5-15(2,3)7-10)6-11-12(13(16)17)8-19-14(11)18/h4,9H,5-8H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyOZQQHYHARGIDIF-SECBINFHSA-N
XLogP2.70
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid?
The IUPAC name of 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid (CID 139587346) is 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid is C[C@H](CC1=C(C(=O)O)COC1=O)C1=CCC(C)(C)C1.
What is the InChIKey of 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid?
The InChIKey is OZQQHYHARGIDIF-SECBINFHSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(10-4-5-15(2,3)7-10)6-11-12(13(16)17)8-19-14(11)18/h4,9H,5-8H2,1-3H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid?
4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carboxylic acid is sourced from PubChem (CID 139587346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).