tetrakis(nitromethoxy)methane

C5H8N4O12 — CID 58434412

IUPACtetrakis(nitromethoxy)methane
SMILESO=[N+]([O-])COC(OC[N+](=O)[O-])(OC[N+](=O)[O-])OC[N+](=O)[O-]
InChIInChI=1S/C5H8N4O12/c10-6(11)1-18-5(19-2-7(12)13,20-3-8(14)15)21-4-9(16)17/h1-4H2
InChIKeySHVUCBMWYAZTNU-UHFFFAOYSA-N
MW316.14 g/mol
LogP-1.40
Rot. Bonds12

About tetrakis(nitromethoxy)methane

tetrakis(nitromethoxy)methane (PubChem CID 58434412) has the molecular formula C5H8N4O12 and a molecular weight of 316.14 g/mol. Its IUPAC name is tetrakis(nitromethoxy)methane.

Molecular Properties

Compound Nametetrakis(nitromethoxy)methane
PubChem CID58434412
Molecular FormulaC5H8N4O12
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC Nametetrakis(nitromethoxy)methane
SMILESO=[N+]([O-])COC(OC[N+](=O)[O-])(OC[N+](=O)[O-])OC[N+](=O)[O-]
InChIInChI=1S/C5H8N4O12/c10-6(11)1-18-5(19-2-7(12)13,20-3-8(14)15)21-4-9(16)17/h1-4H2
InChIKeySHVUCBMWYAZTNU-UHFFFAOYSA-N
XLogP-1.40
TPSA209.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

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Related Compounds

nitromethyl hypofluorite
CID 154094120
nitromethoxyazanium
CID 20579199
2,2-dinitro-1-[tris(2,2-dinitropropoxy)methoxy]propane
CID 19069850
1-(nitromethoxy)propane
CID 126717739
1-(nitromethoxy)butane
CID 123841450
methoxy-(nitromethoxy)-oxophosphanium
CID 22982162
methyl nitrate
CID 11724
CID 20695325
CID 20695325
1-nitro(113C)ethane
CID 71309579
1,3-dinitro-5-(nitromethoxy)benzene
CID 57227824
1-chloro-4-(nitromethoxy)benzene
CID 68968293
1-(2-bromoethoxy)-1,1,2-trinitroethane
CID 88642479

Frequently Asked Questions

What is the IUPAC name of tetrakis(nitromethoxy)methane?
The IUPAC name of tetrakis(nitromethoxy)methane (CID 58434412) is tetrakis(nitromethoxy)methane.
What is the SMILES notation for tetrakis(nitromethoxy)methane?
The canonical SMILES for tetrakis(nitromethoxy)methane is O=[N+]([O-])COC(OC[N+](=O)[O-])(OC[N+](=O)[O-])OC[N+](=O)[O-].
What is the InChIKey of tetrakis(nitromethoxy)methane?
The InChIKey is SHVUCBMWYAZTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O12/c10-6(11)1-18-5(19-2-7(12)13,20-3-8(14)15)21-4-9(16)17/h1-4H2.
What are the key properties of tetrakis(nitromethoxy)methane?
tetrakis(nitromethoxy)methane has a molecular weight of 316.14 g/mol, XLogP of -1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(nitromethoxy)methane is sourced from PubChem (CID 58434412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).