2,5-dinitrosohexane

C6H12N2O2 — CID 54503397

IUPAC2,5-dinitrosohexane
SMILESCC(CCC(C)N=O)N=O
InChIInChI=1S/C6H12N2O2/c1-5(7-9)3-4-6(2)8-10/h5-6H,3-4H2,1-2H3
InChIKeyYDZZHGBLJXSZOE-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.08
Rot. Bonds5

About 2,5-dinitrosohexane

2,5-dinitrosohexane (PubChem CID 54503397) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,5-dinitrosohexane.

Molecular Properties

Compound Name2,5-dinitrosohexane
PubChem CID54503397
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2,5-dinitrosohexane
SMILESCC(CCC(C)N=O)N=O
InChIInChI=1S/C6H12N2O2/c1-5(7-9)3-4-6(2)8-10/h5-6H,3-4H2,1-2H3
InChIKeyYDZZHGBLJXSZOE-UHFFFAOYSA-N
XLogP2.08
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dinitrosohexane?
The IUPAC name of 2,5-dinitrosohexane (CID 54503397) is 2,5-dinitrosohexane.
What is the SMILES notation for 2,5-dinitrosohexane?
The canonical SMILES for 2,5-dinitrosohexane is CC(CCC(C)N=O)N=O.
What is the InChIKey of 2,5-dinitrosohexane?
The InChIKey is YDZZHGBLJXSZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(7-9)3-4-6(2)8-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dinitrosohexane?
2,5-dinitrosohexane has a molecular weight of 144.17 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinitrosohexane is sourced from PubChem (CID 54503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).