(2E,4E)-1-azidododeca-2,4-diene

C12H21N3 — CID 118028603

IUPAC(2E,4E)-1-azidododeca-2,4-diene
SMILESCCCCCCC/C=C/C=C/CN=[N+]=[N-]
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-15-13/h8-11H,2-7,12H2,1H3/b9-8+,11-10+
InChIKeyHAUFVUYYWCEXBF-BNFZFUHLSA-N
MW207.32 g/mol
LogP4.77
Rot. Bonds9

About (2E,4E)-1-azidododeca-2,4-diene

(2E,4E)-1-azidododeca-2,4-diene (PubChem CID 118028603) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (2E,4E)-1-azidododeca-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1-azidododeca-2,4-diene
PubChem CID118028603
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(2E,4E)-1-azidododeca-2,4-diene
SMILESCCCCCCC/C=C/C=C/CN=[N+]=[N-]
InChIInChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-15-13/h8-11H,2-7,12H2,1H3/b9-8+,11-10+
InChIKeyHAUFVUYYWCEXBF-BNFZFUHLSA-N
XLogP4.77
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-azidododeca-2,4-diene?
The IUPAC name of (2E,4E)-1-azidododeca-2,4-diene (CID 118028603) is (2E,4E)-1-azidododeca-2,4-diene.
What is the SMILES notation for (2E,4E)-1-azidododeca-2,4-diene?
The canonical SMILES for (2E,4E)-1-azidododeca-2,4-diene is CCCCCCC/C=C/C=C/CN=[N+]=[N-].
What is the InChIKey of (2E,4E)-1-azidododeca-2,4-diene?
The InChIKey is HAUFVUYYWCEXBF-BNFZFUHLSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-4-5-6-7-8-9-10-11-12-14-15-13/h8-11H,2-7,12H2,1H3/b9-8+,11-10+.
What are the key properties of (2E,4E)-1-azidododeca-2,4-diene?
(2E,4E)-1-azidododeca-2,4-diene has a molecular weight of 207.32 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-azidododeca-2,4-diene is sourced from PubChem (CID 118028603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).