2,6-dinitrosooctane-1,3,4,5-tetrol

C8H16N2O6 — CID 122468077

IUPAC2,6-dinitrosooctane-1,3,4,5-tetrol
SMILESCCC(N=O)C(O)C(O)C(O)C(CO)N=O
InChIInChI=1S/C8H16N2O6/c1-2-4(9-15)6(12)8(14)7(13)5(3-11)10-16/h4-8,11-14H,2-3H2,1H3
InChIKeyKXKZJQOTNCTOJI-UHFFFAOYSA-N
MW236.22 g/mol
LogP-1.26
Rot. Bonds8

About 2,6-dinitrosooctane-1,3,4,5-tetrol

2,6-dinitrosooctane-1,3,4,5-tetrol (PubChem CID 122468077) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2,6-dinitrosooctane-1,3,4,5-tetrol.

Molecular Properties

Compound Name2,6-dinitrosooctane-1,3,4,5-tetrol
PubChem CID122468077
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Name2,6-dinitrosooctane-1,3,4,5-tetrol
SMILESCCC(N=O)C(O)C(O)C(O)C(CO)N=O
InChIInChI=1S/C8H16N2O6/c1-2-4(9-15)6(12)8(14)7(13)5(3-11)10-16/h4-8,11-14H,2-3H2,1H3
InChIKeyKXKZJQOTNCTOJI-UHFFFAOYSA-N
XLogP-1.26
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4R,5S)-5-nitrosoheptane-1,2,3,4-tetrol
CID 163769371
3-nitrosobutane-1,2,4-triol
CID 89185145
(2R,3S)-1-methylsulfanyl-3-nitrosopentan-2-ol
CID 88961577
tris(nitric acid);4-nitrosoheptane-1,2,3-triol
CID 173297146
3-nitrosobutane-1,2-diol
CID 163873378
2-nitrosopentan-3-ol
CID 88945091
pentan-3-ol
CID 11428
heptane-1,2,3,4,5-pentol
CID 21365644
(2R,3R,4S,5S)-heptane-1,2,3,4,5-pentol
CID 118101621
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
sodium;propane-1,2-diol;nitrite
CID 158616438

Frequently Asked Questions

What is the IUPAC name of 2,6-dinitrosooctane-1,3,4,5-tetrol?
The IUPAC name of 2,6-dinitrosooctane-1,3,4,5-tetrol (CID 122468077) is 2,6-dinitrosooctane-1,3,4,5-tetrol.
What is the SMILES notation for 2,6-dinitrosooctane-1,3,4,5-tetrol?
The canonical SMILES for 2,6-dinitrosooctane-1,3,4,5-tetrol is CCC(N=O)C(O)C(O)C(O)C(CO)N=O.
What is the InChIKey of 2,6-dinitrosooctane-1,3,4,5-tetrol?
The InChIKey is KXKZJQOTNCTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6/c1-2-4(9-15)6(12)8(14)7(13)5(3-11)10-16/h4-8,11-14H,2-3H2,1H3.
What are the key properties of 2,6-dinitrosooctane-1,3,4,5-tetrol?
2,6-dinitrosooctane-1,3,4,5-tetrol has a molecular weight of 236.22 g/mol, XLogP of -1.26, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinitrosooctane-1,3,4,5-tetrol is sourced from PubChem (CID 122468077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).