(6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

C30H49N3 — CID 162786419

IUPAC(6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)CN=[N+]=[N-]
InChIInChI=1S/C30H49N3/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-32-33-31/h14-16,20-21,23H,8-13,17-19,22,24H2,1-7H3/b26-15+,27-16+,28-20+,29-21+,30-23?
InChIKeyGGNRQCRXUIVGHN-MXRMWZFFSA-N
MW451.74 g/mol
LogP10.90
Rot. Bonds17

About (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

(6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (PubChem CID 162786419) has the molecular formula C30H49N3 and a molecular weight of 451.74 g/mol. Its IUPAC name is (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name(6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
PubChem CID162786419
Molecular FormulaC30H49N3
Molecular Weight451.74 g/mol
Exact Mass451.39
IUPAC Name(6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)CN=[N+]=[N-]
InChIInChI=1S/C30H49N3/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-32-33-31/h14-16,20-21,23H,8-13,17-19,22,24H2,1-7H3/b26-15+,27-16+,28-20+,29-21+,30-23?
InChIKeyGGNRQCRXUIVGHN-MXRMWZFFSA-N
XLogP10.90
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.74
LogP ≤ 510.90
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,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
The IUPAC name of (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (CID 162786419) is (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)CN=[N+]=[N-].
What is the InChIKey of (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
The InChIKey is GGNRQCRXUIVGHN-MXRMWZFFSA-N. The full InChI is InChI=1S/C30H49N3/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-32-33-31/h14-16,20-21,23H,8-13,17-19,22,24H2,1-7H3/b26-15+,27-16+,28-20+,29-21+,30-23?.
What are the key properties of (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
(6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene has a molecular weight of 451.74 g/mol, XLogP of 10.90, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-1-azido-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 162786419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).