dodeca-3,4-diene

C12H22 — CID 91492112

IUPACdodeca-3,4-diene
SMILESCCC=C=CCCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h5,9H,3-4,6,8,10-12H2,1-2H3
InChIKeyGDGWEPOHFHCXTO-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.47
Rot. Bonds7

About dodeca-3,4-diene

dodeca-3,4-diene (PubChem CID 91492112) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is dodeca-3,4-diene.

Molecular Properties

Compound Namedodeca-3,4-diene
PubChem CID91492112
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Namedodeca-3,4-diene
SMILESCCC=C=CCCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h5,9H,3-4,6,8,10-12H2,1-2H3
InChIKeyGDGWEPOHFHCXTO-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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Related Compounds

pentacosa-12,13-diene
CID 174365678
octadeca-5,6-diene
CID 141110817
octadeca-2,3-dien-1-ol
CID 138969077
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
pentadeca-1,4,5-triene
CID 174394424
octadeca-3,4,11,15-tetraene
CID 174642630
heptatriaconta-15,18,19-triene
CID 57100861
dodeca-4,5-dienenitrile
CID 121006720
dodeca-2,3-dienal
CID 11810769
2,2-dimethyltrideca-3,4-diene
CID 134994881
tetradeca-2,3-dienal
CID 25179784
octa-4,5-dien-1-amine
CID 55284757

Frequently Asked Questions

What is the IUPAC name of dodeca-3,4-diene?
The IUPAC name of dodeca-3,4-diene (CID 91492112) is dodeca-3,4-diene.
What is the SMILES notation for dodeca-3,4-diene?
The canonical SMILES for dodeca-3,4-diene is CCC=C=CCCCCCCC.
What is the InChIKey of dodeca-3,4-diene?
The InChIKey is GDGWEPOHFHCXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h5,9H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of dodeca-3,4-diene?
dodeca-3,4-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-3,4-diene is sourced from PubChem (CID 91492112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).