(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene

C20H33N3 — CID 91219148

IUPAC(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCC/C(C)=C/CN=[N+]=[N-]
InChIInChI=1S/C20H33N3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3/b18-11?,19-13?,20-15+
InChIKeyLMJDEHWAURUALS-LJIAMTCLSA-N
MW315.51 g/mol
LogP7.44
Rot. Bonds11

About (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene

(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene (PubChem CID 91219148) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene.

Molecular Properties

Compound Name(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
PubChem CID91219148
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCC/C(C)=C/CN=[N+]=[N-]
InChIInChI=1S/C20H33N3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3/b18-11?,19-13?,20-15+
InChIKeyLMJDEHWAURUALS-LJIAMTCLSA-N
XLogP7.44
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(2E)-1-azido-3,7-dimethylocta-2,6-diene
CID 11008510
Geranylgeranyl azide
CID 14834742
Farnesyl azide
CID 54100283
1-Azido-3,7-dimethylocta-2,6-diene
CID 54335697
Azido-squalene
CID 162786419
(4e,8e,12e,16e)-4,8,13,17,21-Penta-methyl-4,8,12,16,20-docosapentaenyl azide
CID 10476747
(6e,9z,12e)-9,10-Diazaoctadeca-1,6,9,12,17-pentaene
CID 13703669
Squalene azide
CID 129725107
(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienylazide
CID 10014874
(2Z)-1-azido-3,7-dimethylocta-2,6-diene
CID 13544477
(2Z,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
CID 58664990
(2E,6E,10E)-1-azido-2,6,10-trimethyltrideca-2,6,10-triene
CID 58664992

Frequently Asked Questions

What is the IUPAC name of (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The IUPAC name of (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene (CID 91219148) is (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene.
What is the SMILES notation for (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The canonical SMILES for (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene is CC(C)=CCCC(C)=CCCC(C)=CCC/C(C)=C/CN=[N+]=[N-].
What is the InChIKey of (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The InChIKey is LMJDEHWAURUALS-LJIAMTCLSA-N. The full InChI is InChI=1S/C20H33N3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3/b18-11?,19-13?,20-15+.
What are the key properties of (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene has a molecular weight of 315.51 g/mol, XLogP of 7.44, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene is sourced from PubChem (CID 91219148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).