5-nitrononadecane

C19H39NO2 — CID 167528506

IUPAC5-nitrononadecane
SMILESCCCCCCCCCCCCCCC(CCCC)[N+](=O)[O-]
InChIInChI=1S/C19H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19(20(21)22)17-6-4-2/h19H,3-18H2,1-2H3
InChIKeyNBMWZHXPRJECCU-UHFFFAOYSA-N
MW313.53 g/mol
LogP6.91
Rot. Bonds17

About 5-nitrononadecane

5-nitrononadecane (PubChem CID 167528506) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 5-nitrononadecane.

Molecular Properties

Compound Name5-nitrononadecane
PubChem CID167528506
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name5-nitrononadecane
SMILESCCCCCCCCCCCCCCC(CCCC)[N+](=O)[O-]
InChIInChI=1S/C19H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19(20(21)22)17-6-4-2/h19H,3-18H2,1-2H3
InChIKeyNBMWZHXPRJECCU-UHFFFAOYSA-N
XLogP6.91
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.91
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

7-nitrohexadecane
CID 87201115
6-nitrododecane
CID 11095997
9-nitrooctadecane
CID 87201118
1-nitroheptane;5-nitrononane;6-nitroundecane
CID 87201345
9-nitroheptadecane;6-nitropentadecane;1-nitrotridecane
CID 87201342
2-nitrohexane;4-nitrononane;5-nitroundecane
CID 87201330
2-nitrohexadecane;4-nitrooctadecane;5-nitrotridecane
CID 87201243
2-nitrohexadecan-1-ol
CID 87201077
12-nitroicosanoic acid
CID 89267062
8-nitropentadec-1-ene
CID 123331556
2,4-dinitropentadecane
CID 163361803
2-nitrohexan-1-ol
CID 21389445

Frequently Asked Questions

What is the IUPAC name of 5-nitrononadecane?
The IUPAC name of 5-nitrononadecane (CID 167528506) is 5-nitrononadecane.
What is the SMILES notation for 5-nitrononadecane?
The canonical SMILES for 5-nitrononadecane is CCCCCCCCCCCCCCC(CCCC)[N+](=O)[O-].
What is the InChIKey of 5-nitrononadecane?
The InChIKey is NBMWZHXPRJECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19(20(21)22)17-6-4-2/h19H,3-18H2,1-2H3.
What are the key properties of 5-nitrononadecane?
5-nitrononadecane has a molecular weight of 313.53 g/mol, XLogP of 6.91, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrononadecane is sourced from PubChem (CID 167528506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).