2,2-dimethyl-5,5-dinitroso-1,3-dioxane

C6H10N2O4 — CID 174884545

IUPAC2,2-dimethyl-5,5-dinitroso-1,3-dioxane
SMILESCC1(C)OCC(N=O)(N=O)CO1
InChIInChI=1S/C6H10N2O4/c1-5(2)11-3-6(7-9,8-10)4-12-5/h3-4H2,1-2H3
InChIKeySMSFDNHEJHTQFW-UHFFFAOYSA-N
MW174.16 g/mol
LogP1.00
Rot. Bonds2

About 2,2-dimethyl-5,5-dinitroso-1,3-dioxane

2,2-dimethyl-5,5-dinitroso-1,3-dioxane (PubChem CID 174884545) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-dinitroso-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5,5-dinitroso-1,3-dioxane
PubChem CID174884545
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2,2-dimethyl-5,5-dinitroso-1,3-dioxane
SMILESCC1(C)OCC(N=O)(N=O)CO1
InChIInChI=1S/C6H10N2O4/c1-5(2)11-3-6(7-9,8-10)4-12-5/h3-4H2,1-2H3
InChIKeySMSFDNHEJHTQFW-UHFFFAOYSA-N
XLogP1.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,5-dinitroso-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5,5-dinitroso-1,3-dioxane (CID 174884545) is 2,2-dimethyl-5,5-dinitroso-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5,5-dinitroso-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5,5-dinitroso-1,3-dioxane is CC1(C)OCC(N=O)(N=O)CO1.
What is the InChIKey of 2,2-dimethyl-5,5-dinitroso-1,3-dioxane?
The InChIKey is SMSFDNHEJHTQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-5(2)11-3-6(7-9,8-10)4-12-5/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-5,5-dinitroso-1,3-dioxane?
2,2-dimethyl-5,5-dinitroso-1,3-dioxane has a molecular weight of 174.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-dinitroso-1,3-dioxane is sourced from PubChem (CID 174884545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).