2-(1-hydroxyethyl)pentanal

C7H14O2 — CID 139213369

IUPAC2-(1-hydroxyethyl)pentanal
SMILESCCCC(C=O)C(C)O
InChIInChI=1S/C7H14O2/c1-3-4-7(5-8)6(2)9/h5-7,9H,3-4H2,1-2H3
InChIKeyUAUPXQDESMKJRA-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.98
Rot. Bonds4

About 2-(1-hydroxyethyl)pentanal

2-(1-hydroxyethyl)pentanal (PubChem CID 139213369) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)pentanal.

Molecular Properties

Compound Name2-(1-hydroxyethyl)pentanal
PubChem CID139213369
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(1-hydroxyethyl)pentanal
SMILESCCCC(C=O)C(C)O
InChIInChI=1S/C7H14O2/c1-3-4-7(5-8)6(2)9/h5-7,9H,3-4H2,1-2H3
InChIKeyUAUPXQDESMKJRA-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxyethyl)pentanal 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-(1-hydroxyethyl)pentanal?
The IUPAC name of 2-(1-hydroxyethyl)pentanal (CID 139213369) is 2-(1-hydroxyethyl)pentanal.
What is the SMILES notation for 2-(1-hydroxyethyl)pentanal?
The canonical SMILES for 2-(1-hydroxyethyl)pentanal is CCCC(C=O)C(C)O.
What is the InChIKey of 2-(1-hydroxyethyl)pentanal?
The InChIKey is UAUPXQDESMKJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-7(5-8)6(2)9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)pentanal?
2-(1-hydroxyethyl)pentanal has a molecular weight of 130.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)pentanal is sourced from PubChem (CID 139213369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).