1-nitrotriacontane

C30H61NO2 — CID 154217337

IUPAC1-nitrotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](=O)[O-]
InChIInChI=1S/C30H61NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3
InChIKeyOMPMOYIUKDFWBF-UHFFFAOYSA-N
MW467.82 g/mol
LogP11.21
Rot. Bonds29

About 1-nitrotriacontane

1-nitrotriacontane (PubChem CID 154217337) has the molecular formula C30H61NO2 and a molecular weight of 467.82 g/mol. Its IUPAC name is 1-nitrotriacontane.

Molecular Properties

Compound Name1-nitrotriacontane
PubChem CID154217337
Molecular FormulaC30H61NO2
Molecular Weight467.82 g/mol
Exact Mass467.47
IUPAC Name1-nitrotriacontane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](=O)[O-]
InChIInChI=1S/C30H61NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3
InChIKeyOMPMOYIUKDFWBF-UHFFFAOYSA-N
XLogP11.21
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.82
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5E,8E,11E,14E)-1-nitroicosa-5,8,11,14-tetraene
CID 22344840
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1-nitropentane;uranium
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1-iodo-6-nitrohexane
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1-nitroethane;1-nitropropane
CID 19873560
1-nitro-5-(5-nitropentyldisulfanyl)pentane
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tetra(undecyl)azanium nitrate
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Frequently Asked Questions

What is the IUPAC name of 1-nitrotriacontane?
The IUPAC name of 1-nitrotriacontane (CID 154217337) is 1-nitrotriacontane.
What is the SMILES notation for 1-nitrotriacontane?
The canonical SMILES for 1-nitrotriacontane is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[N+](=O)[O-].
What is the InChIKey of 1-nitrotriacontane?
The InChIKey is OMPMOYIUKDFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3.
What are the key properties of 1-nitrotriacontane?
1-nitrotriacontane has a molecular weight of 467.82 g/mol, XLogP of 11.21, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrotriacontane is sourced from PubChem (CID 154217337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).