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

C15H20O3 — CID 139586929

IUPAC4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde
SMILESC[C@H](CC1=C(C=O)COC1=O)C1=CCC(C)(C)C1
InChIInChI=1S/C15H20O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,8,10H,5-7,9H2,1-3H3/t10-/m1/s1
InChIKeyMGCQOVSJHJLATA-SNVBAGLBSA-N
MW248.32 g/mol
LogP2.81
Rot. Bonds4

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

4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde (PubChem CID 139586929) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde.

Molecular Properties

Compound Name4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde
PubChem CID139586929
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde
SMILESC[C@H](CC1=C(C=O)COC1=O)C1=CCC(C)(C)C1
InChIInChI=1S/C15H20O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,8,10H,5-7,9H2,1-3H3/t10-/m1/s1
InChIKeyMGCQOVSJHJLATA-SNVBAGLBSA-N
XLogP2.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-carbaldehyde?
The IUPAC name of 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde (CID 139586929) is 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde.
What is the SMILES notation for 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde?
The canonical SMILES for 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde is C[C@H](CC1=C(C=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-carbaldehyde?
The InChIKey is MGCQOVSJHJLATA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(11-4-5-15(2,3)7-11)6-13-12(8-16)9-18-14(13)17/h4,8,10H,5-7,9H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde?
4-[(2R)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-5-oxo-2H-furan-3-carbaldehyde has a molecular weight of 248.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 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-carbaldehyde is sourced from PubChem (CID 139586929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).