2,2-bis(3,3-dinitropropyl)oxasilinane

C10H18N4O9Si — CID 23342723

IUPAC2,2-bis(3,3-dinitropropyl)oxasilinane
SMILESO=[N+]([O-])C(CC[Si]1(CCC([N+](=O)[O-])[N+](=O)[O-])CCCCO1)[N+](=O)[O-]
InChIInChI=1S/C10H18N4O9Si/c15-11(16)9(12(17)18)3-7-24(6-2-1-5-23-24)8-4-10(13(19)20)14(21)22/h9-10H,1-8H2
InChIKeyRAZFLEIJBVAMCN-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.28
Rot. Bonds10

About 2,2-bis(3,3-dinitropropyl)oxasilinane

2,2-bis(3,3-dinitropropyl)oxasilinane (PubChem CID 23342723) has the molecular formula C10H18N4O9Si and a molecular weight of 366.36 g/mol. Its IUPAC name is 2,2-bis(3,3-dinitropropyl)oxasilinane.

Molecular Properties

Compound Name2,2-bis(3,3-dinitropropyl)oxasilinane
PubChem CID23342723
Molecular FormulaC10H18N4O9Si
Molecular Weight366.36 g/mol
Exact Mass366.08
IUPAC Name2,2-bis(3,3-dinitropropyl)oxasilinane
SMILESO=[N+]([O-])C(CC[Si]1(CCC([N+](=O)[O-])[N+](=O)[O-])CCCCO1)[N+](=O)[O-]
InChIInChI=1S/C10H18N4O9Si/c15-11(16)9(12(17)18)3-7-24(6-2-1-5-23-24)8-4-10(13(19)20)14(21)22/h9-10H,1-8H2
InChIKeyRAZFLEIJBVAMCN-UHFFFAOYSA-N
XLogP1.28
TPSA181.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3,3-dinitropropyl)oxasilinane?
The IUPAC name of 2,2-bis(3,3-dinitropropyl)oxasilinane (CID 23342723) is 2,2-bis(3,3-dinitropropyl)oxasilinane.
What is the SMILES notation for 2,2-bis(3,3-dinitropropyl)oxasilinane?
The canonical SMILES for 2,2-bis(3,3-dinitropropyl)oxasilinane is O=[N+]([O-])C(CC[Si]1(CCC([N+](=O)[O-])[N+](=O)[O-])CCCCO1)[N+](=O)[O-].
What is the InChIKey of 2,2-bis(3,3-dinitropropyl)oxasilinane?
The InChIKey is RAZFLEIJBVAMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O9Si/c15-11(16)9(12(17)18)3-7-24(6-2-1-5-23-24)8-4-10(13(19)20)14(21)22/h9-10H,1-8H2.
What are the key properties of 2,2-bis(3,3-dinitropropyl)oxasilinane?
2,2-bis(3,3-dinitropropyl)oxasilinane has a molecular weight of 366.36 g/mol, XLogP of 1.28, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3,3-dinitropropyl)oxasilinane is sourced from PubChem (CID 23342723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).