2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde

C16H24O3 — CID 129213472

IUPAC2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde
SMILESCC(C)CC1=CC(=O)C(C)(C2CCC(C)C2C=O)O1
InChIInChI=1S/C16H24O3/c1-10(2)7-12-8-15(18)16(4,19-12)14-6-5-11(3)13(14)9-17/h8-11,13-14H,5-7H2,1-4H3
InChIKeyYWKSRWHDJAPZSM-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde

2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde (PubChem CID 129213472) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde
PubChem CID129213472
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde
SMILESCC(C)CC1=CC(=O)C(C)(C2CCC(C)C2C=O)O1
InChIInChI=1S/C16H24O3/c1-10(2)7-12-8-15(18)16(4,19-12)14-6-5-11(3)13(14)9-17/h8-11,13-14H,5-7H2,1-4H3
InChIKeyYWKSRWHDJAPZSM-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde?
The IUPAC name of 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde (CID 129213472) is 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde is CC(C)CC1=CC(=O)C(C)(C2CCC(C)C2C=O)O1.
What is the InChIKey of 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde?
The InChIKey is YWKSRWHDJAPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)7-12-8-15(18)16(4,19-12)14-6-5-11(3)13(14)9-17/h8-11,13-14H,5-7H2,1-4H3.
What are the key properties of 2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde?
2-methyl-5-[2-methyl-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde has a molecular weight of 264.37 g/mol, XLogP of 3.14, 4 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-5-(2-methylpropyl)-3-oxofuran-2-yl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 129213472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).