3,4-dinitrosohexane

C6H12N2O2 — CID 13116314

IUPAC3,4-dinitrosohexane
SMILESCCC(N=O)C(CC)N=O
InChIInChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h5-6H,3-4H2,1-2H3
InChIKeyRIQDXTJEHSZFEY-UHFFFAOYSA-N
MW144.17 g/mol
LogP2.08
Rot. Bonds5

About 3,4-dinitrosohexane

3,4-dinitrosohexane (PubChem CID 13116314) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3,4-dinitrosohexane.

Molecular Properties

Compound Name3,4-dinitrosohexane
PubChem CID13116314
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3,4-dinitrosohexane
SMILESCCC(N=O)C(CC)N=O
InChIInChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h5-6H,3-4H2,1-2H3
InChIKeyRIQDXTJEHSZFEY-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 3,4-dinitrosohexane?
The IUPAC name of 3,4-dinitrosohexane (CID 13116314) is 3,4-dinitrosohexane.
What is the SMILES notation for 3,4-dinitrosohexane?
The canonical SMILES for 3,4-dinitrosohexane is CCC(N=O)C(CC)N=O.
What is the InChIKey of 3,4-dinitrosohexane?
The InChIKey is RIQDXTJEHSZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-dinitrosohexane?
3,4-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 3,4-dinitrosohexane is sourced from PubChem (CID 13116314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).