(6E)-10-azido-2,6-dimethyldeca-2,6-diene

C12H21N3 — CID 101235797

IUPAC(6E)-10-azido-2,6-dimethyldeca-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCCN=[N+]=[N-]
InChIInChI=1S/C12H21N3/c1-11(2)7-6-9-12(3)8-4-5-10-14-15-13/h7-8H,4-6,9-10H2,1-3H3/b12-8+
InChIKeySFRMBZFXMXFFSH-XYOKQWHBSA-N
MW207.32 g/mol
LogP4.77
Rot. Bonds7

About (6E)-10-azido-2,6-dimethyldeca-2,6-diene

(6E)-10-azido-2,6-dimethyldeca-2,6-diene (PubChem CID 101235797) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (6E)-10-azido-2,6-dimethyldeca-2,6-diene.

Molecular Properties

Compound Name(6E)-10-azido-2,6-dimethyldeca-2,6-diene
PubChem CID101235797
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(6E)-10-azido-2,6-dimethyldeca-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCCN=[N+]=[N-]
InChIInChI=1S/C12H21N3/c1-11(2)7-6-9-12(3)8-4-5-10-14-15-13/h7-8H,4-6,9-10H2,1-3H3/b12-8+
InChIKeySFRMBZFXMXFFSH-XYOKQWHBSA-N
XLogP4.77
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-10-azido-2,6-dimethyldeca-2,6-diene?
The IUPAC name of (6E)-10-azido-2,6-dimethyldeca-2,6-diene (CID 101235797) is (6E)-10-azido-2,6-dimethyldeca-2,6-diene.
What is the SMILES notation for (6E)-10-azido-2,6-dimethyldeca-2,6-diene?
The canonical SMILES for (6E)-10-azido-2,6-dimethyldeca-2,6-diene is CC(C)=CCC/C(C)=C/CCCN=[N+]=[N-].
What is the InChIKey of (6E)-10-azido-2,6-dimethyldeca-2,6-diene?
The InChIKey is SFRMBZFXMXFFSH-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H21N3/c1-11(2)7-6-9-12(3)8-4-5-10-14-15-13/h7-8H,4-6,9-10H2,1-3H3/b12-8+.
What are the key properties of (6E)-10-azido-2,6-dimethyldeca-2,6-diene?
(6E)-10-azido-2,6-dimethyldeca-2,6-diene has a molecular weight of 207.32 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-10-azido-2,6-dimethyldeca-2,6-diene is sourced from PubChem (CID 101235797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).