penta-1,2-diene

C5H8 — CID 11588

IUPACpenta-1,2-diene
SMILESC=C=CCC
InChIInChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3
InChIKeyLVMTVPFRTKXRPH-UHFFFAOYSA-N
MW68.12 g/mol
LogP1.74
Rot. Bonds1

About penta-1,2-diene

penta-1,2-diene (PubChem CID 11588) has the molecular formula C5H8 and a molecular weight of 68.12 g/mol. Its IUPAC name is penta-1,2-diene.

Molecular Properties

Compound Namepenta-1,2-diene
PubChem CID11588
Molecular FormulaC5H8
Molecular Weight68.12 g/mol
Exact Mass68.06
IUPAC Namepenta-1,2-diene
SMILESC=C=CCC
InChIInChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3
InChIKeyLVMTVPFRTKXRPH-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of penta-1,2-diene?
The IUPAC name of penta-1,2-diene (CID 11588) is penta-1,2-diene.
What is the SMILES notation for penta-1,2-diene?
The canonical SMILES for penta-1,2-diene is C=C=CCC.
What is the InChIKey of penta-1,2-diene?
The InChIKey is LVMTVPFRTKXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3.
What are the key properties of penta-1,2-diene?
penta-1,2-diene has a molecular weight of 68.12 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,2-diene is sourced from PubChem (CID 11588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).