2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde

C15H22O3 — CID 75994700

IUPAC2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde
SMILESCC(C)C1=CC(=O)C(C)(C2CCC(C)C2C=O)O1
InChIInChI=1S/C15H22O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7-12H,5-6H2,1-4H3
InChIKeyDWDZZQZOCNUWLL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds3

About 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde

2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde (PubChem CID 75994700) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde
PubChem CID75994700
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde
SMILESCC(C)C1=CC(=O)C(C)(C2CCC(C)C2C=O)O1
InChIInChI=1S/C15H22O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7-12H,5-6H2,1-4H3
InChIKeyDWDZZQZOCNUWLL-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde (CID 75994700) is 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde is CC(C)C1=CC(=O)C(C)(C2CCC(C)C2C=O)O1.
What is the InChIKey of 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde?
The InChIKey is DWDZZQZOCNUWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)13-7-14(17)15(4,18-13)12-6-5-10(3)11(12)8-16/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde?
2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde has a molecular weight of 250.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 75994700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).