buta-1,2-diene

C4H6 — CID 11535

IUPACbuta-1,2-diene
SMILESC=C=CC
InChIInChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3
InChIKeyQNRMTGGDHLBXQZ-UHFFFAOYSA-N
MW54.09 g/mol
LogP1.35
Rot. Bonds

About buta-1,2-diene

buta-1,2-diene (PubChem CID 11535) has the molecular formula C4H6 and a molecular weight of 54.09 g/mol. Its IUPAC name is buta-1,2-diene.

Molecular Properties

Compound Namebuta-1,2-diene
PubChem CID11535
Molecular FormulaC4H6
Molecular Weight54.09 g/mol
Exact Mass54.05
IUPAC Namebuta-1,2-diene
SMILESC=C=CC
InChIInChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3
InChIKeyQNRMTGGDHLBXQZ-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of buta-1,2-diene?
The IUPAC name of buta-1,2-diene (CID 11535) is buta-1,2-diene.
What is the SMILES notation for buta-1,2-diene?
The canonical SMILES for buta-1,2-diene is C=C=CC.
What is the InChIKey of buta-1,2-diene?
The InChIKey is QNRMTGGDHLBXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3.
What are the key properties of buta-1,2-diene?
buta-1,2-diene has a molecular weight of 54.09 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,2-diene is sourced from PubChem (CID 11535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).