2,2-dimethyl-1,6-dinitrosohexane

C8H16N2O2 — CID 22094686

IUPAC2,2-dimethyl-1,6-dinitrosohexane
SMILESCC(C)(CCCCN=O)CN=O
InChIInChI=1S/C8H16N2O2/c1-8(2,7-10-12)5-3-4-6-9-11/h3-7H2,1-2H3
InChIKeyFDQXKKCREZFFHW-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.72
Rot. Bonds7

About 2,2-dimethyl-1,6-dinitrosohexane

2,2-dimethyl-1,6-dinitrosohexane (PubChem CID 22094686) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,2-dimethyl-1,6-dinitrosohexane.

Molecular Properties

Compound Name2,2-dimethyl-1,6-dinitrosohexane
PubChem CID22094686
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2,2-dimethyl-1,6-dinitrosohexane
SMILESCC(C)(CCCCN=O)CN=O
InChIInChI=1S/C8H16N2O2/c1-8(2,7-10-12)5-3-4-6-9-11/h3-7H2,1-2H3
InChIKeyFDQXKKCREZFFHW-UHFFFAOYSA-N
XLogP2.72
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,6-dinitrosohexane?
The IUPAC name of 2,2-dimethyl-1,6-dinitrosohexane (CID 22094686) is 2,2-dimethyl-1,6-dinitrosohexane.
What is the SMILES notation for 2,2-dimethyl-1,6-dinitrosohexane?
The canonical SMILES for 2,2-dimethyl-1,6-dinitrosohexane is CC(C)(CCCCN=O)CN=O.
What is the InChIKey of 2,2-dimethyl-1,6-dinitrosohexane?
The InChIKey is FDQXKKCREZFFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,7-10-12)5-3-4-6-9-11/h3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,6-dinitrosohexane?
2,2-dimethyl-1,6-dinitrosohexane has a molecular weight of 172.23 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,6-dinitrosohexane is sourced from PubChem (CID 22094686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).