(E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene

C20H39N3 — CID 46225450

IUPAC(E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene
SMILESC/C(=C\CN=[N+]=[N-])CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H39N3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+
InChIKeyJRQXBWXUQRYIAE-HMMYKYKNSA-N
MW321.55 g/mol
LogP7.68
Rot. Bonds14

About (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene

(E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene (PubChem CID 46225450) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene.

Molecular Properties

Compound Name(E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene
PubChem CID46225450
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name(E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene
SMILESC/C(=C\CN=[N+]=[N-])CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H39N3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+
InChIKeyJRQXBWXUQRYIAE-HMMYKYKNSA-N
XLogP7.68
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 57.68
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene?
The IUPAC name of (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene (CID 46225450) is (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene.
What is the SMILES notation for (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene?
The canonical SMILES for (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene is C/C(=C\CN=[N+]=[N-])CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene?
The InChIKey is JRQXBWXUQRYIAE-HMMYKYKNSA-N. The full InChI is InChI=1S/C20H39N3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-22-23-21/h15,17-19H,6-14,16H2,1-5H3/b20-15+.
What are the key properties of (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene?
(E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene has a molecular weight of 321.55 g/mol, XLogP of 7.68, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-azido-3,7,11,15-tetramethylhexadec-2-ene is sourced from PubChem (CID 46225450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).