(2R)-1,2-dinitrosohexane

C6H12N2O2 — CID 118601800

IUPAC(2R)-1,2-dinitrosohexane
SMILESCCCC[C@H](CN=O)N=O
InChIInChI=1S/C6H12N2O2/c1-2-3-4-6(8-10)5-7-9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyLAEOAMXUHMBNTN-ZCFIWIBFSA-N
MW144.17 g/mol
LogP2.08
Rot. Bonds6

About (2R)-1,2-dinitrosohexane

(2R)-1,2-dinitrosohexane (PubChem CID 118601800) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R)-1,2-dinitrosohexane.

Molecular Properties

Compound Name(2R)-1,2-dinitrosohexane
PubChem CID118601800
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2R)-1,2-dinitrosohexane
SMILESCCCC[C@H](CN=O)N=O
InChIInChI=1S/C6H12N2O2/c1-2-3-4-6(8-10)5-7-9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyLAEOAMXUHMBNTN-ZCFIWIBFSA-N
XLogP2.08
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze (2R)-1,2-dinitrosohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitrosohexan-1-ol
CID 131969945
19-nitrosoheptatriacontane
CID 88669606
3-nitrosooctane
CID 57157162
(2S)-1,2,4-trinitrosobutane
CID 121451530
4-nitrosooctadecane
CID 122423399
1,3-dinitrosoheptan-2-ol
CID 118873606
7-(nitrosomethyl)pentadecane
CID 54309093
9-(nitrosomethyl)icosane
CID 122613192
(3S)-2-methyl-3-(nitrosomethyl)octan-1-amine
CID 163966998
5-nitrosooctadecan-2-ol
CID 87834682
2,3-dinitrosopropan-1-amine
CID 122544163
(3R)-1,3-dinitrosohexane
CID 129091657

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dinitrosohexane?
The IUPAC name of (2R)-1,2-dinitrosohexane (CID 118601800) is (2R)-1,2-dinitrosohexane.
What is the SMILES notation for (2R)-1,2-dinitrosohexane?
The canonical SMILES for (2R)-1,2-dinitrosohexane is CCCC[C@H](CN=O)N=O.
What is the InChIKey of (2R)-1,2-dinitrosohexane?
The InChIKey is LAEOAMXUHMBNTN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-4-6(8-10)5-7-9/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1,2-dinitrosohexane?
(2R)-1,2-dinitrosohexane has a molecular weight of 144.17 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dinitrosohexane is sourced from PubChem (CID 118601800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).