5-ethoxy-4-hydroxy-2-propylpentanal

C10H20O3 — CID 71399314

IUPAC5-ethoxy-4-hydroxy-2-propylpentanal
SMILESCCCC(C=O)CC(O)COCC
InChIInChI=1S/C10H20O3/c1-3-5-9(7-11)6-10(12)8-13-4-2/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyRWLUMAWVNGMFCD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.39
Rot. Bonds8

About 5-ethoxy-4-hydroxy-2-propylpentanal

5-ethoxy-4-hydroxy-2-propylpentanal (PubChem CID 71399314) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-2-propylpentanal.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-2-propylpentanal
PubChem CID71399314
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5-ethoxy-4-hydroxy-2-propylpentanal
SMILESCCCC(C=O)CC(O)COCC
InChIInChI=1S/C10H20O3/c1-3-5-9(7-11)6-10(12)8-13-4-2/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyRWLUMAWVNGMFCD-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
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 5-ethoxy-4-hydroxy-2-propylpentanal?
The IUPAC name of 5-ethoxy-4-hydroxy-2-propylpentanal (CID 71399314) is 5-ethoxy-4-hydroxy-2-propylpentanal.
What is the SMILES notation for 5-ethoxy-4-hydroxy-2-propylpentanal?
The canonical SMILES for 5-ethoxy-4-hydroxy-2-propylpentanal is CCCC(C=O)CC(O)COCC.
What is the InChIKey of 5-ethoxy-4-hydroxy-2-propylpentanal?
The InChIKey is RWLUMAWVNGMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-9(7-11)6-10(12)8-13-4-2/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 5-ethoxy-4-hydroxy-2-propylpentanal?
5-ethoxy-4-hydroxy-2-propylpentanal has a molecular weight of 188.27 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-hydroxy-2-propylpentanal is sourced from PubChem (CID 71399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).