4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate

C22H40O3 — CID 162169396

IUPAC4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate
SMILESCC(CCC=O)C1CCCC1.CCOC(=O)CCC(C)C1CCCC1
InChIInChI=1S/C12H22O2.C10H18O/c1-3-14-12(13)9-8-10(2)11-6-4-5-7-11;1-9(5-4-8-11)10-6-2-3-7-10/h10-11H,3-9H2,1-2H3;8-10H,2-7H2,1H3
InChIKeyZNORYOXUQSPTSJ-UHFFFAOYSA-N
MW352.56 g/mol
LogP5.95
Rot. Bonds9

About 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate

4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate (PubChem CID 162169396) has the molecular formula C22H40O3 and a molecular weight of 352.56 g/mol. Its IUPAC name is 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate.

Molecular Properties

Compound Name4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate
PubChem CID162169396
Molecular FormulaC22H40O3
Molecular Weight352.56 g/mol
Exact Mass352.30
IUPAC Name4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate
SMILESCC(CCC=O)C1CCCC1.CCOC(=O)CCC(C)C1CCCC1
InChIInChI=1S/C12H22O2.C10H18O/c1-3-14-12(13)9-8-10(2)11-6-4-5-7-11;1-9(5-4-8-11)10-6-2-3-7-10/h10-11H,3-9H2,1-2H3;8-10H,2-7H2,1H3
InChIKeyZNORYOXUQSPTSJ-UHFFFAOYSA-N
XLogP5.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-cyclohexylpentanoate
CID 174916606
ethyl 4-methyl-8-oxooctanoate
CID 71371354
ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
CID 58212173
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896
ethyl 3-cyclopropylbutanoate
CID 47078610
4,4-dicyclopropylbutanoic acid;ethyl 4,4-dicyclopropylbutanoate
CID 158390010
(2S)-2-[(2-cyclohexylacetyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039239
ethyl 3-[(3-cyclopentyl-2-hydroxypropyl)amino]propanoate
CID 103157624
ethyl (2S)-2-amino-5-oxopentanoate
CID 87968678
ethyl 2-methyl-5-oxopentanoate
CID 57121376
ethyl 2-cyclopentylpropanoate
CID 10654733
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate?
The IUPAC name of 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate (CID 162169396) is 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate.
What is the SMILES notation for 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate?
The canonical SMILES for 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate is CC(CCC=O)C1CCCC1.CCOC(=O)CCC(C)C1CCCC1.
What is the InChIKey of 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate?
The InChIKey is ZNORYOXUQSPTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2.C10H18O/c1-3-14-12(13)9-8-10(2)11-6-4-5-7-11;1-9(5-4-8-11)10-6-2-3-7-10/h10-11H,3-9H2,1-2H3;8-10H,2-7H2,1H3.
What are the key properties of 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate?
4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate has a molecular weight of 352.56 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylpentanal;ethyl 4-cyclopentylpentanoate is sourced from PubChem (CID 162169396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).