19-nitrosoheptatriacontane

C37H75NO — CID 88669606

IUPAC19-nitrosoheptatriacontane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)N=O
InChIInChI=1S/C37H75NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38-39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKeyKWDLDJHUGJYYKD-UHFFFAOYSA-N
MW550.01 g/mol
LogP14.42
Rot. Bonds35

About 19-nitrosoheptatriacontane

19-nitrosoheptatriacontane (PubChem CID 88669606) has the molecular formula C37H75NO and a molecular weight of 550.01 g/mol. Its IUPAC name is 19-nitrosoheptatriacontane.

Molecular Properties

Compound Name19-nitrosoheptatriacontane
PubChem CID88669606
Molecular FormulaC37H75NO
Molecular Weight550.01 g/mol
Exact Mass549.58
IUPAC Name19-nitrosoheptatriacontane
SMILESCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)N=O
InChIInChI=1S/C37H75NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38-39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKeyKWDLDJHUGJYYKD-UHFFFAOYSA-N
XLogP14.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.01
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-nitrosohexan-1-ol
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1-ethoxy-1-nitrosotetradecane
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7-(nitrosomethyl)pentadecane
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CID 143714871
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Frequently Asked Questions

What is the IUPAC name of 19-nitrosoheptatriacontane?
The IUPAC name of 19-nitrosoheptatriacontane (CID 88669606) is 19-nitrosoheptatriacontane.
What is the SMILES notation for 19-nitrosoheptatriacontane?
The canonical SMILES for 19-nitrosoheptatriacontane is CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)N=O.
What is the InChIKey of 19-nitrosoheptatriacontane?
The InChIKey is KWDLDJHUGJYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H75NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38-39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3.
What are the key properties of 19-nitrosoheptatriacontane?
19-nitrosoheptatriacontane has a molecular weight of 550.01 g/mol, XLogP of 14.42, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-nitrosoheptatriacontane is sourced from PubChem (CID 88669606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).