dodeca-5,6-diene

C12H22 — CID 12861159

IUPACdodeca-5,6-diene
SMILESCCCCC=C=CCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKeyHFOZXKAFHVHLJW-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.47
Rot. Bonds7

About dodeca-5,6-diene

dodeca-5,6-diene (PubChem CID 12861159) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is dodeca-5,6-diene.

Molecular Properties

Compound Namedodeca-5,6-diene
PubChem CID12861159
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namedodeca-5,6-diene
SMILESCCCCC=C=CCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKeyHFOZXKAFHVHLJW-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dodeca-5,6-diene?
The IUPAC name of dodeca-5,6-diene (CID 12861159) is dodeca-5,6-diene.
What is the SMILES notation for dodeca-5,6-diene?
The canonical SMILES for dodeca-5,6-diene is CCCCC=C=CCCCCC.
What is the InChIKey of dodeca-5,6-diene?
The InChIKey is HFOZXKAFHVHLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9,12H,3-8,10H2,1-2H3.
What are the key properties of dodeca-5,6-diene?
dodeca-5,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-5,6-diene is sourced from PubChem (CID 12861159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).