pent-2-ene

C5H10 — CID 12585

IUPACpent-2-ene
SMILESCC=CCC
InChIInChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3
InChIKeyQMMOXUPEWRXHJS-UHFFFAOYSA-N
MW70.14 g/mol
LogP1.97
Rot. Bonds1

About pent-2-ene

pent-2-ene (PubChem CID 12585) has the molecular formula C5H10 and a molecular weight of 70.14 g/mol. Its IUPAC name is pent-2-ene.

Molecular Properties

Compound Namepent-2-ene
PubChem CID12585
Molecular FormulaC5H10
Molecular Weight70.14 g/mol
Exact Mass70.08
IUPAC Namepent-2-ene
SMILESCC=CCC
InChIInChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3
InChIKeyQMMOXUPEWRXHJS-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ene?
The IUPAC name of pent-2-ene (CID 12585) is pent-2-ene.
What is the SMILES notation for pent-2-ene?
The canonical SMILES for pent-2-ene is CC=CCC.
What is the InChIKey of pent-2-ene?
The InChIKey is QMMOXUPEWRXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3.
What are the key properties of pent-2-ene?
pent-2-ene has a molecular weight of 70.14 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-ene is sourced from PubChem (CID 12585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).