[(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene

C18H36N2 — CID 134313946

IUPAC[(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene
SMILESC/N=N/C(=C\CCCCCCC(C)C)CCCC(C)C
InChIInChI=1S/C18H36N2/c1-16(2)12-9-7-6-8-10-14-18(20-19-5)15-11-13-17(3)4/h14,16-17H,6-13,15H2,1-5H3/b18-14-,20-19+
InChIKeySPAWYCMCSQLHKO-KLZMBSQASA-N
MW280.50 g/mol
LogP6.78
Rot. Bonds12

About [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene

[(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene (PubChem CID 134313946) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene.

Molecular Properties

Compound Name[(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene
PubChem CID134313946
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name[(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene
SMILESC/N=N/C(=C\CCCCCCC(C)C)CCCC(C)C
InChIInChI=1S/C18H36N2/c1-16(2)12-9-7-6-8-10-14-18(20-19-5)15-11-13-17(3)4/h14,16-17H,6-13,15H2,1-5H3/b18-14-,20-19+
InChIKeySPAWYCMCSQLHKO-KLZMBSQASA-N
XLogP6.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene?
The IUPAC name of [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene (CID 134313946) is [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene.
What is the SMILES notation for [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene?
The canonical SMILES for [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene is C/N=N/C(=C\CCCCCCC(C)C)CCCC(C)C.
What is the InChIKey of [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene?
The InChIKey is SPAWYCMCSQLHKO-KLZMBSQASA-N. The full InChI is InChI=1S/C18H36N2/c1-16(2)12-9-7-6-8-10-14-18(20-19-5)15-11-13-17(3)4/h14,16-17H,6-13,15H2,1-5H3/b18-14-,20-19+.
What are the key properties of [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene?
[(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene has a molecular weight of 280.50 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,14-dimethylpentadec-6-en-6-yl]-methyldiazene is sourced from PubChem (CID 134313946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).