(2E,4Z)-dodeca-2,4-diene

C12H22 — CID 5365771

IUPAC(2E,4Z)-dodeca-2,4-diene
SMILESC/C=C/C=C\CCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,6,8,10-12H2,1-2H3/b5-3+,9-7-
InChIKeyNJMCFBIRFRIKSQ-PKWCJPJFSA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About (2E,4Z)-dodeca-2,4-diene

(2E,4Z)-dodeca-2,4-diene (PubChem CID 5365771) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2E,4Z)-dodeca-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-dodeca-2,4-diene
PubChem CID5365771
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2E,4Z)-dodeca-2,4-diene
SMILESC/C=C/C=C\CCCCCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,6,8,10-12H2,1-2H3/b5-3+,9-7-
InChIKeyNJMCFBIRFRIKSQ-PKWCJPJFSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-dodeca-2,4-diene?
The IUPAC name of (2E,4Z)-dodeca-2,4-diene (CID 5365771) is (2E,4Z)-dodeca-2,4-diene.
What is the SMILES notation for (2E,4Z)-dodeca-2,4-diene?
The canonical SMILES for (2E,4Z)-dodeca-2,4-diene is C/C=C/C=C\CCCCCCC.
What is the InChIKey of (2E,4Z)-dodeca-2,4-diene?
The InChIKey is NJMCFBIRFRIKSQ-PKWCJPJFSA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5,7,9H,4,6,8,10-12H2,1-2H3/b5-3+,9-7-.
What are the key properties of (2E,4Z)-dodeca-2,4-diene?
(2E,4Z)-dodeca-2,4-diene has a molecular weight of 166.31 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-dodeca-2,4-diene is sourced from PubChem (CID 5365771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).