(3R)-1,3-dinitrosohexane

C6H12N2O2 — CID 129091657

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

About (3R)-1,3-dinitrosohexane

(3R)-1,3-dinitrosohexane (PubChem CID 129091657) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-1,3-dinitrosohexane.

Molecular Properties

Compound Name(3R)-1,3-dinitrosohexane
PubChem CID129091657
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3R)-1,3-dinitrosohexane
SMILESCCC[C@H](CCN=O)N=O
InChIInChI=1S/C6H12N2O2/c1-2-3-6(8-10)4-5-7-9/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyIAYASTVAOPKMMX-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

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Related Compounds

(2S)-1,2,4-trinitrosobutane
CID 121451530
4-nitrosooctadecane
CID 122423399
trimethyl(1-nitrosohexan-3-yl)azanium
CID 91385086
19-nitrosoheptatriacontane
CID 88669606
(2R)-1,2-dinitrosohexane
CID 118601800
3-nitrosooctane
CID 57157162
1-chloro-1-nitrosobutane
CID 91441735
2-nitrosohexan-1-ol
CID 131969945
4-isocyanatoheptane
CID 22102269
5-nitrosooctadecan-2-ol
CID 87834682
ethane;1-nitrosobutane;pentane
CID 144748325
azane;1-nitrosopentane
CID 174758116

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dinitrosohexane?
The IUPAC name of (3R)-1,3-dinitrosohexane (CID 129091657) is (3R)-1,3-dinitrosohexane.
What is the SMILES notation for (3R)-1,3-dinitrosohexane?
The canonical SMILES for (3R)-1,3-dinitrosohexane is CCC[C@H](CCN=O)N=O.
What is the InChIKey of (3R)-1,3-dinitrosohexane?
The InChIKey is IAYASTVAOPKMMX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-6(8-10)4-5-7-9/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-1,3-dinitrosohexane?
(3R)-1,3-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 (3R)-1,3-dinitrosohexane is sourced from PubChem (CID 129091657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).