(5E,7E)-dodeca-5,7-diene

C12H22 — CID 5358327

IUPAC(5E,7E)-dodeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyZARLDNIZTZBEDV-WGDLNXRISA-N
MW166.31 g/mol
LogP4.48
Rot. Bonds7

About (5E,7E)-dodeca-5,7-diene

(5E,7E)-dodeca-5,7-diene (PubChem CID 5358327) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (5E,7E)-dodeca-5,7-diene.

Molecular Properties

Compound Name(5E,7E)-dodeca-5,7-diene
PubChem CID5358327
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(5E,7E)-dodeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCC
InChIInChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyZARLDNIZTZBEDV-WGDLNXRISA-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 (5E,7E)-dodeca-5,7-diene?
The IUPAC name of (5E,7E)-dodeca-5,7-diene (CID 5358327) is (5E,7E)-dodeca-5,7-diene.
What is the SMILES notation for (5E,7E)-dodeca-5,7-diene?
The canonical SMILES for (5E,7E)-dodeca-5,7-diene is CCCC/C=C/C=C/CCCC.
What is the InChIKey of (5E,7E)-dodeca-5,7-diene?
The InChIKey is ZARLDNIZTZBEDV-WGDLNXRISA-N. The full InChI is InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h9-12H,3-8H2,1-2H3/b11-9+,12-10+.
What are the key properties of (5E,7E)-dodeca-5,7-diene?
(5E,7E)-dodeca-5,7-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 (5E,7E)-dodeca-5,7-diene is sourced from PubChem (CID 5358327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).