pent-2-en-1-ol

C5H10O — CID 15306

IUPACpent-2-en-1-ol
SMILESCCC=CCO
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3
InChIKeyBTSIZIIPFNVMHF-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.94
Rot. Bonds2

About pent-2-en-1-ol

pent-2-en-1-ol (PubChem CID 15306) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is pent-2-en-1-ol.

Molecular Properties

Compound Namepent-2-en-1-ol
PubChem CID15306
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Namepent-2-en-1-ol
SMILESCCC=CCO
InChIInChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3
InChIKeyBTSIZIIPFNVMHF-UHFFFAOYSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-2-en-1-ol?
The IUPAC name of pent-2-en-1-ol (CID 15306) is pent-2-en-1-ol.
What is the SMILES notation for pent-2-en-1-ol?
The canonical SMILES for pent-2-en-1-ol is CCC=CCO.
What is the InChIKey of pent-2-en-1-ol?
The InChIKey is BTSIZIIPFNVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3.
What are the key properties of pent-2-en-1-ol?
pent-2-en-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-en-1-ol is sourced from PubChem (CID 15306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).