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

C6H10N2O6 — CID 130417652

IUPAC4,6-dinitrosocyclohexane-1,2,3,5-tetrol
SMILESO=NC1C(O)C(O)C(O)C(N=O)C1O
InChIInChI=1S/C6H10N2O6/c9-3-1(7-13)4(10)6(12)5(11)2(3)8-14/h1-6,9-12H
InChIKeyKEQDOCQFMJUIQN-UHFFFAOYSA-N
MW206.15 g/mol
LogP-2.29
Rot. Bonds2

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

4,6-dinitrosocyclohexane-1,2,3,5-tetrol (PubChem CID 130417652) has the molecular formula C6H10N2O6 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4,6-dinitrosocyclohexane-1,2,3,5-tetrol.

Molecular Properties

Compound Name4,6-dinitrosocyclohexane-1,2,3,5-tetrol
PubChem CID130417652
Molecular FormulaC6H10N2O6
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name4,6-dinitrosocyclohexane-1,2,3,5-tetrol
SMILESO=NC1C(O)C(O)C(O)C(N=O)C1O
InChIInChI=1S/C6H10N2O6/c9-3-1(7-13)4(10)6(12)5(11)2(3)8-14/h1-6,9-12H
InChIKeyKEQDOCQFMJUIQN-UHFFFAOYSA-N
XLogP-2.29
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dinitrosocyclohexane-1,2,3,5-tetrol?
The IUPAC name of 4,6-dinitrosocyclohexane-1,2,3,5-tetrol (CID 130417652) is 4,6-dinitrosocyclohexane-1,2,3,5-tetrol.
What is the SMILES notation for 4,6-dinitrosocyclohexane-1,2,3,5-tetrol?
The canonical SMILES for 4,6-dinitrosocyclohexane-1,2,3,5-tetrol is O=NC1C(O)C(O)C(O)C(N=O)C1O.
What is the InChIKey of 4,6-dinitrosocyclohexane-1,2,3,5-tetrol?
The InChIKey is KEQDOCQFMJUIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O6/c9-3-1(7-13)4(10)6(12)5(11)2(3)8-14/h1-6,9-12H.
What are the key properties of 4,6-dinitrosocyclohexane-1,2,3,5-tetrol?
4,6-dinitrosocyclohexane-1,2,3,5-tetrol has a molecular weight of 206.15 g/mol, XLogP of -2.29, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dinitrosocyclohexane-1,2,3,5-tetrol is sourced from PubChem (CID 130417652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).