penta-1,3-diene

C5H8 — CID 15301

IUPACpenta-1,3-diene
SMILESC=CC=CC
InChIInChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3
InChIKeyPMJHHCWVYXUKFD-UHFFFAOYSA-N
MW68.12 g/mol
LogP1.75
Rot. Bonds1

About penta-1,3-diene

penta-1,3-diene (PubChem CID 15301) has the molecular formula C5H8 and a molecular weight of 68.12 g/mol. Its IUPAC name is penta-1,3-diene.

Molecular Properties

Compound Namepenta-1,3-diene
PubChem CID15301
Molecular FormulaC5H8
Molecular Weight68.12 g/mol
Exact Mass68.06
IUPAC Namepenta-1,3-diene
SMILESC=CC=CC
InChIInChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3
InChIKeyPMJHHCWVYXUKFD-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of penta-1,3-diene?
The IUPAC name of penta-1,3-diene (CID 15301) is penta-1,3-diene.
What is the SMILES notation for penta-1,3-diene?
The canonical SMILES for penta-1,3-diene is C=CC=CC.
What is the InChIKey of penta-1,3-diene?
The InChIKey is PMJHHCWVYXUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3.
What are the key properties of penta-1,3-diene?
penta-1,3-diene has a molecular weight of 68.12 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,3-diene is sourced from PubChem (CID 15301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).