[(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene

C19H38N2 — CID 134313943

IUPAC[(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene
SMILESC/N=N/C(=C\CCCCCCCC(C)C)CCCC(C)C
InChIInChI=1S/C19H38N2/c1-17(2)13-10-8-6-7-9-11-15-19(21-20-5)16-12-14-18(3)4/h15,17-18H,6-14,16H2,1-5H3/b19-15-,21-20+
InChIKeyXOFJEHJYXDCCST-FCYXFUCKSA-N
MW294.53 g/mol
LogP7.17
Rot. Bonds13

About [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene

[(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene (PubChem CID 134313943) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene.

Molecular Properties

Compound Name[(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene
PubChem CID134313943
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name[(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene
SMILESC/N=N/C(=C\CCCCCCCC(C)C)CCCC(C)C
InChIInChI=1S/C19H38N2/c1-17(2)13-10-8-6-7-9-11-15-19(21-20-5)16-12-14-18(3)4/h15,17-18H,6-14,16H2,1-5H3/b19-15-,21-20+
InChIKeyXOFJEHJYXDCCST-FCYXFUCKSA-N
XLogP7.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 57.17
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)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene?
The IUPAC name of [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene (CID 134313943) is [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene.
What is the SMILES notation for [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene?
The canonical SMILES for [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene is C/N=N/C(=C\CCCCCCCC(C)C)CCCC(C)C.
What is the InChIKey of [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene?
The InChIKey is XOFJEHJYXDCCST-FCYXFUCKSA-N. The full InChI is InChI=1S/C19H38N2/c1-17(2)13-10-8-6-7-9-11-15-19(21-20-5)16-12-14-18(3)4/h15,17-18H,6-14,16H2,1-5H3/b19-15-,21-20+.
What are the key properties of [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene?
[(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene has a molecular weight of 294.53 g/mol, XLogP of 7.17, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,15-dimethylhexadec-6-en-6-yl]-methyldiazene is sourced from PubChem (CID 134313943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).