(6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene

C27H45N3 — CID 10476747

IUPAC(6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCN=[N+]=[N-]
InChIInChI=1S/C27H45N3/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-29-30-28/h13-15,19-20H,7-12,16-18,21-22H2,1-6H3/b24-14+,25-15+,26-19+,27-20+
InChIKeyYPZDRIZIFOIVDJ-OGDZRKEVSA-N
MW411.68 g/mol
LogP9.95
Rot. Bonds16

About (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene

(6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene (PubChem CID 10476747) has the molecular formula C27H45N3 and a molecular weight of 411.68 g/mol. Its IUPAC name is (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene.

Molecular Properties

Compound Name(6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene
PubChem CID10476747
Molecular FormulaC27H45N3
Molecular Weight411.68 g/mol
Exact Mass411.36
IUPAC Name(6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCN=[N+]=[N-]
InChIInChI=1S/C27H45N3/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-29-30-28/h13-15,19-20H,7-12,16-18,21-22H2,1-6H3/b24-14+,25-15+,26-19+,27-20+
InChIKeyYPZDRIZIFOIVDJ-OGDZRKEVSA-N
XLogP9.95
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.68
LogP ≤ 59.95
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'}

Analyze (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene with MolForge

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Related Compounds

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CID 10663183
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Oleyl azide
CID 51355200
Farnesyl azide
CID 54100283
1-Azido-3,7-dimethylocta-2,6-diene
CID 54335697
Eicosa-5,8,11,14-tetraenylazide
CID 57093561
(2E)-1-azido-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 91219148
Azido-squalene
CID 162786419
3,7,11-Trimethyldodeca-3,6,10-trienyldiazene
CID 90783684
Squalene azide
CID 129725107
(13z,17z)-1-Azidotri aconta-13,17-diene
CID 171665931

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
The IUPAC name of (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene (CID 10476747) is (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene.
What is the SMILES notation for (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
The canonical SMILES for (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCN=[N+]=[N-].
What is the InChIKey of (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
The InChIKey is YPZDRIZIFOIVDJ-OGDZRKEVSA-N. The full InChI is InChI=1S/C27H45N3/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-29-30-28/h13-15,19-20H,7-12,16-18,21-22H2,1-6H3/b24-14+,25-15+,26-19+,27-20+.
What are the key properties of (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene?
(6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene has a molecular weight of 411.68 g/mol, XLogP of 9.95, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-22-azido-2,6,10,15,19-pentamethyldocosa-2,6,10,14,18-pentaene is sourced from PubChem (CID 10476747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).