1-azidododeca-2,4-diene

C12H21N3 — CID 123761820

IUPAC1-azidododeca-2,4-diene
SMILESCCCCCCCC=CC=CCN=[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
InChIKeyHAUFVUYYWCEXBF-UHFFFAOYSA-N
MW207.32 g/mol
LogP4.77
Rot. Bonds9

About 1-azidododeca-2,4-diene

1-azidododeca-2,4-diene (PubChem CID 123761820) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-azidododeca-2,4-diene.

Molecular Properties

Compound Name1-azidododeca-2,4-diene
PubChem CID123761820
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-azidododeca-2,4-diene
SMILESCCCCCCCC=CC=CCN=[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
InChIKeyHAUFVUYYWCEXBF-UHFFFAOYSA-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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Related Compounds

(E)-1-azido-5-fluoropentadec-2-ene
CID 154714645
(Z)-1-azidododec-5-ene
CID 10656025
(E)-1-azidooct-2-ene
CID 14415560
1-Azidohexadec-7-ene
CID 54568004
1-Azidooct-2-ene
CID 57119076
1-Azidotridec-2-ene
CID 85563484
(2E,4E)-1-Azidodeca-2,4-diene
CID 118023486
(2E,4E)-1-azidododeca-2,4-diene
CID 118028603
(2E,4E)-1-azidonona-2,4-diene
CID 118030368
(Z)-1-azidotetradec-5-ene
CID 121367151
imino-[(E)-tridec-2-enyl]iminoazanium
CID 123168009
N-[(2E,4E)-undeca-2,4,6-trienyl]iminonitrous amide
CID 123622937

Frequently Asked Questions

What is the IUPAC name of 1-azidododeca-2,4-diene?
The IUPAC name of 1-azidododeca-2,4-diene (CID 123761820) is 1-azidododeca-2,4-diene.
What is the SMILES notation for 1-azidododeca-2,4-diene?
The canonical SMILES for 1-azidododeca-2,4-diene is CCCCCCCC=CC=CCN=[N+]=[N-].
What is the InChIKey of 1-azidododeca-2,4-diene?
The InChIKey is HAUFVUYYWCEXBF-UHFFFAOYSA-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.
What are the key properties of 1-azidododeca-2,4-diene?
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 1-azidododeca-2,4-diene is sourced from PubChem (CID 123761820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).