pent-4-en-1-ol

C5H10O — CID 13181

IUPACpent-4-en-1-ol
SMILESC=CCCCO
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChIKeyLQAVWYMTUMSFBE-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.94
Rot. Bonds3

About pent-4-en-1-ol

pent-4-en-1-ol (PubChem CID 13181) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is pent-4-en-1-ol.

Molecular Properties

Compound Namepent-4-en-1-ol
PubChem CID13181
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Namepent-4-en-1-ol
SMILESC=CCCCO
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2
InChIKeyLQAVWYMTUMSFBE-UHFFFAOYSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Hexen-1-ol
CID 69963
3-Buten-1-ol
CID 69389
4-Hepten-1-ol, (4Z)-
CID 5367536
(Z)-hex-4-en-1-ol
CID 5365589
(E)-4-Hexen-1-ol
CID 641248
Hex-4-en-1-ol
CID 61370
5-Hexen-2-ol
CID 41170
2-Methyl-4-penten-1-ol
CID 534258
(4E)-hept-4-en-1-ol
CID 5367535
Hept-6-en-1-ol
CID 543123
(2S)-hex-5-en-2-ol
CID 11848710
(2R)-hex-5-en-2-ol
CID 11848709

Frequently Asked Questions

What is the IUPAC name of pent-4-en-1-ol?
The IUPAC name of pent-4-en-1-ol (CID 13181) is pent-4-en-1-ol.
What is the SMILES notation for pent-4-en-1-ol?
The canonical SMILES for pent-4-en-1-ol is C=CCCCO.
What is the InChIKey of pent-4-en-1-ol?
The InChIKey is LQAVWYMTUMSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2.
What are the key properties of pent-4-en-1-ol?
pent-4-en-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-en-1-ol is sourced from PubChem (CID 13181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).