2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

C10H18N8O2 — CID 58722222

IUPAC2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane
SMILESCN1C2C3N(C)C4C(N3C)N(N=O)C(C1N4N=O)N2C
InChIInChI=1S/C10H18N8O2/c1-13-5-6-15(3)9-10(16(6)4)18(12-20)8(14(5)2)7(13)17(9)11-19/h5-10H,1-4H3
InChIKeyMWXAJVUMOSROKS-UHFFFAOYSA-N
MW282.31 g/mol
LogP-1.31
Rot. Bonds2

About 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane

2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane (PubChem CID 58722222) has the molecular formula C10H18N8O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane.

Molecular Properties

Compound Name2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane
PubChem CID58722222
Molecular FormulaC10H18N8O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane
SMILESCN1C2C3N(C)C4C(N3C)N(N=O)C(C1N4N=O)N2C
InChIInChI=1S/C10H18N8O2/c1-13-5-6-15(3)9-10(16(6)4)18(12-20)8(14(5)2)7(13)17(9)11-19/h5-10H,1-4H3
InChIKeyMWXAJVUMOSROKS-UHFFFAOYSA-N
XLogP-1.31
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane?
The IUPAC name of 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane (CID 58722222) is 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane.
What is the SMILES notation for 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane?
The canonical SMILES for 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane is CN1C2C3N(C)C4C(N3C)N(N=O)C(C1N4N=O)N2C.
What is the InChIKey of 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane?
The InChIKey is MWXAJVUMOSROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8O2/c1-13-5-6-15(3)9-10(16(6)4)18(12-20)8(14(5)2)7(13)17(9)11-19/h5-10H,1-4H3.
What are the key properties of 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane?
2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane has a molecular weight of 282.31 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,12-tetramethyl-4,10-dinitroso-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane is sourced from PubChem (CID 58722222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).