1-Pentene-2-ol

Details

• Internal ID: 416b3731-064b-4cbe-b33d-f4517cbba5aa
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Enols
• IUPAC Name: pent-1-en-2-ol
• SMILES (Canonical): CCCC(=C)O
• SMILES (Isomeric): CCCC(=C)O
• InChI: InChI=1S/C5H10O/c1-3-4-5(2)6/h6H,2-4H2,1H3
• InChI Key: RTJBLRZRSVEQRH-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₁₀O
• Molecular Weight: 86.13 g/mol
• Exact Mass: 86.073164938 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 1.70

Synonyms

• 61923-56-6
• 1-Penten-2-ol
• Penten-2-ol
• pent-1-en-2-ol
• DTXSID50210955

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL221	P23219	Cyclooxygenase-1	87.88%	90.17%
CHEMBL2581	P07339	Cathepsin D	86.93%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.42%	96.09%

Plants that contains it

• Zea mays

Cross-Links

• PubChem: 173840
• LOTUS: LTS0139059
• wikiData: Q83085792