7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane

C14H20N4O8 — CID 5205680

IUPAC7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane
SMILESO=[N+]([O-])C1([N+](=O)[O-])CC2(CCC2)ON1OC1(C2([N+](=O)[O-])CCC2)CCC1
InChIInChI=1S/C14H20N4O8/c19-15(20)12(6-2-7-12)13(8-3-9-13)26-18-14(16(21)22,17(23)24)10-11(25-18)4-1-5-11/h1-10H2
InChIKeyXMDDHEVMTXIBRH-UHFFFAOYSA-N
MW372.33 g/mol
LogP1.81
Rot. Bonds6

About 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane

7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane (PubChem CID 5205680) has the molecular formula C14H20N4O8 and a molecular weight of 372.33 g/mol. Its IUPAC name is 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane
PubChem CID5205680
Molecular FormulaC14H20N4O8
Molecular Weight372.33 g/mol
Exact Mass372.13
IUPAC Name7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane
SMILESO=[N+]([O-])C1([N+](=O)[O-])CC2(CCC2)ON1OC1(C2([N+](=O)[O-])CCC2)CCC1
InChIInChI=1S/C14H20N4O8/c19-15(20)12(6-2-7-12)13(8-3-9-13)26-18-14(16(21)22,17(23)24)10-11(25-18)4-1-5-11/h1-10H2
InChIKeyXMDDHEVMTXIBRH-UHFFFAOYSA-N
XLogP1.81
TPSA151.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,3-dinitro-2-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-1,2-oxazolidin-5-yl]ethanone
CID 4105592
3,3-dinitro-2-[1-(nitromethyl)cyclohexyl]oxy-1-oxa-2-azaspiro[4.5]decane
CID 101397812
5-cyclopropyl-2-(2-cyclopropyl-1-nitropropan-2-yl)oxy-5-methyl-3,3-dinitro-1,2-oxazolidine
CID 15530617
(3-nitro-1,5-dioxaspiro[5.5]undecan-3-yl)methyl formate
CID 70869466
trimethyl-[1-(nitromethyl)cyclobutyl]oxysilane
CID 156643751
6,6-dimethyl-5,7-dinitrospiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclopentane]
CID 6985361
1,1,3,3,5,5-hexanitrocyclohexane
CID 161094538
3,5,7-trinitro-1-azatricyclo[3.3.1.13,7]decane
CID 14613935
1-methyl-3,3-dinitroazetidine
CID 88534952
1-methyl-5-(nitromethyl)-6-oxabicyclo[3.2.1]octan-7-ol
CID 102205245
2,2-dimethyl-6-nitro-6-prop-2-enylcyclohexan-1-one
CID 85280087
(1S,3aS,6aR)-1-methyl-2-morpholin-4-yl-6a-nitro-3a,4,5,6-tetrahydropentalen-1-ol
CID 134925154

Frequently Asked Questions

What is the IUPAC name of 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane?
The IUPAC name of 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane (CID 5205680) is 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane.
What is the SMILES notation for 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane?
The canonical SMILES for 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane is O=[N+]([O-])C1([N+](=O)[O-])CC2(CCC2)ON1OC1(C2([N+](=O)[O-])CCC2)CCC1.
What is the InChIKey of 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane?
The InChIKey is XMDDHEVMTXIBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O8/c19-15(20)12(6-2-7-12)13(8-3-9-13)26-18-14(16(21)22,17(23)24)10-11(25-18)4-1-5-11/h1-10H2.
What are the key properties of 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane?
7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane has a molecular weight of 372.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dinitro-6-[1-(1-nitrocyclobutyl)cyclobutyl]oxy-5-oxa-6-azaspiro[3.4]octane is sourced from PubChem (CID 5205680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).