1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine

C59H116N2 — CID 155358460

IUPAC1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine
SMILESC=C(CCCCCCCCCCC(CCCCCCCCCCC(=C)C(CCCC)CCCCCC)N(C(=C)CCCCCCCC)N(C)C)C(CCCC)CCCCCC
InChIInChI=1S/C59H116N2/c1-11-16-21-24-35-40-47-56(8)61(60(9)10)59(52-43-36-31-27-25-29-33-38-45-54(6)57(48-19-14-4)50-41-22-17-12-2)53-44-37-32-28-26-30-34-39-46-55(7)58(49-20-15-5)51-42-23-18-13-3/h57-59H,6-8,11-53H2,1-5,9-10H3
InChIKeyDLRAJLFHQQFXOB-UHFFFAOYSA-N
MW853.59 g/mol
LogP20.87
Rot. Bonds50

About 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine

1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine (PubChem CID 155358460) has the molecular formula C59H116N2 and a molecular weight of 853.59 g/mol. Its IUPAC name is 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine.

Molecular Properties

Compound Name1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine
PubChem CID155358460
Molecular FormulaC59H116N2
Molecular Weight853.59 g/mol
Exact Mass852.91
IUPAC Name1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine
SMILESC=C(CCCCCCCCCCC(CCCCCCCCCCC(=C)C(CCCC)CCCCCC)N(C(=C)CCCCCCCC)N(C)C)C(CCCC)CCCCCC
InChIInChI=1S/C59H116N2/c1-11-16-21-24-35-40-47-56(8)61(60(9)10)59(52-43-36-31-27-25-29-33-38-45-54(6)57(48-19-14-4)50-41-22-17-12-2)53-44-37-32-28-26-30-34-39-46-55(7)58(49-20-15-5)51-42-23-18-13-3/h57-59H,6-8,11-53H2,1-5,9-10H3
InChIKeyDLRAJLFHQQFXOB-UHFFFAOYSA-N
XLogP20.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds50
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.59
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine?
The IUPAC name of 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine (CID 155358460) is 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine.
What is the SMILES notation for 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine?
The canonical SMILES for 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine is C=C(CCCCCCCCCCC(CCCCCCCCCCC(=C)C(CCCC)CCCCCC)N(C(=C)CCCCCCCC)N(C)C)C(CCCC)CCCCCC.
What is the InChIKey of 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine?
The InChIKey is DLRAJLFHQQFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H116N2/c1-11-16-21-24-35-40-47-56(8)61(60(9)10)59(52-43-36-31-27-25-29-33-38-45-54(6)57(48-19-14-4)50-41-22-17-12-2)53-44-37-32-28-26-30-34-39-46-55(7)58(49-20-15-5)51-42-23-18-13-3/h57-59H,6-8,11-53H2,1-5,9-10H3.
What are the key properties of 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine?
1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine has a molecular weight of 853.59 g/mol, XLogP of 20.87, 50 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine is sourced from PubChem (CID 155358460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).