12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

C15H25N3O — CID 53394136

IUPAC12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(=CCO)CCC=C(C)CCC=C(C)CN=[N+]=[N-]
InChIInChI=1S/C15H25N3O/c1-13(6-4-8-14(2)10-11-19)7-5-9-15(3)12-17-18-16/h6,9-10,19H,4-5,7-8,11-12H2,1-3H3
InChIKeyFRARHOTUPWLCHV-UHFFFAOYSA-N
MW263.39 g/mol
LogP4.69
Rot. Bonds9

About 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (PubChem CID 53394136) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
PubChem CID53394136
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(=CCO)CCC=C(C)CCC=C(C)CN=[N+]=[N-]
InChIInChI=1S/C15H25N3O/c1-13(6-4-8-14(2)10-11-19)7-5-9-15(3)12-17-18-16/h6,9-10,19H,4-5,7-8,11-12H2,1-3H3
InChIKeyFRARHOTUPWLCHV-UHFFFAOYSA-N
XLogP4.69
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The IUPAC name of 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (CID 53394136) is 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol is CC(=CCO)CCC=C(C)CCC=C(C)CN=[N+]=[N-].
What is the InChIKey of 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The InChIKey is FRARHOTUPWLCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(6-4-8-14(2)10-11-19)7-5-9-15(3)12-17-18-16/h6,9-10,19H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol has a molecular weight of 263.39 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azido-3,7,11-trimethyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 53394136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).