5-hydroxypentanal

C5H10O2 — CID 20205

IUPAC5-hydroxypentanal
SMILESO=CCCCCO
InChIInChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2
InChIKeyCNRGMQRNYAIBTN-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.35
Rot. Bonds4

About 5-hydroxypentanal

5-hydroxypentanal (PubChem CID 20205) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 5-hydroxypentanal.

Molecular Properties

Compound Name5-hydroxypentanal
PubChem CID20205
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name5-hydroxypentanal
SMILESO=CCCCCO
InChIInChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2
InChIKeyCNRGMQRNYAIBTN-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxypentanal 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

Hexanal, 6-hydroxy-
CID 190319
5,5-Dihydroxyvaleraldehyde
CID 3016589
5-Hydroxy-2-methylpentanal
CID 12367598
4,5-Dihydroxypentanal
CID 22172474
5-Hydroxy-4-oxopentanal
CID 53873414
Dideoxyribose
CID 54031129
3,5-Dihydroxypentanal
CID 54288820
3-Keto-5-hydroxypentanal
CID 57283625
5-Oxopentyl hydroperoxide
CID 90329731
Hydroxypropylmalon aldehyde
CID 123676756
1-Deutero-5-hydroxypentanal
CID 129647547
6-Hydroxyhexanal-3,3,4,4-d4
CID 129726346

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentanal?
The IUPAC name of 5-hydroxypentanal (CID 20205) is 5-hydroxypentanal.
What is the SMILES notation for 5-hydroxypentanal?
The canonical SMILES for 5-hydroxypentanal is O=CCCCCO.
What is the InChIKey of 5-hydroxypentanal?
The InChIKey is CNRGMQRNYAIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2.
What are the key properties of 5-hydroxypentanal?
5-hydroxypentanal has a molecular weight of 102.13 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentanal is sourced from PubChem (CID 20205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).