2,4-dinitropentadecane

C15H30N2O4 — CID 163361803

IUPAC2,4-dinitropentadecane
SMILESCCCCCCCCCCCC(CC(C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C15H30N2O4/c1-3-4-5-6-7-8-9-10-11-12-15(17(20)21)13-14(2)16(18)19/h14-15H,3-13H2,1-2H3
InChIKeyGIJSMKPZIKUAOK-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.61
Rot. Bonds14

About 2,4-dinitropentadecane

2,4-dinitropentadecane (PubChem CID 163361803) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2,4-dinitropentadecane.

Molecular Properties

Compound Name2,4-dinitropentadecane
PubChem CID163361803
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2,4-dinitropentadecane
SMILESCCCCCCCCCCCC(CC(C)[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C15H30N2O4/c1-3-4-5-6-7-8-9-10-11-12-15(17(20)21)13-14(2)16(18)19/h14-15H,3-13H2,1-2H3
InChIKeyGIJSMKPZIKUAOK-UHFFFAOYSA-N
XLogP4.61
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
2-nitrohexane;4-nitrononane;5-nitroundecane
CID 87201330
2-nitrohexadecane;4-nitrooctadecane;5-nitrotridecane
CID 87201243
2-nitropentadecane
CID 87201105
5-nitrononadecane
CID 167528506
2-nitrohexadecan-1-ol
CID 87201077
9-nitroheptadecane;6-nitropentadecane;1-nitrotridecane
CID 87201342
1-nitroheptane;5-nitrononane;6-nitroundecane
CID 87201345
12-nitroicosanoic acid
CID 89267062
8-nitropentadec-1-ene
CID 123331556

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitropentadecane?
The IUPAC name of 2,4-dinitropentadecane (CID 163361803) is 2,4-dinitropentadecane.
What is the SMILES notation for 2,4-dinitropentadecane?
The canonical SMILES for 2,4-dinitropentadecane is CCCCCCCCCCCC(CC(C)[N+](=O)[O-])[N+](=O)[O-].
What is the InChIKey of 2,4-dinitropentadecane?
The InChIKey is GIJSMKPZIKUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-3-4-5-6-7-8-9-10-11-12-15(17(20)21)13-14(2)16(18)19/h14-15H,3-13H2,1-2H3.
What are the key properties of 2,4-dinitropentadecane?
2,4-dinitropentadecane has a molecular weight of 302.42 g/mol, XLogP of 4.61, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitropentadecane is sourced from PubChem (CID 163361803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).