diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide

C9H25I5N2O4 — CID 157340596

IUPACdiiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide
SMILESC.C.CC(C)=C[N+](=O)[O-].CI.C[N+](=O)[O-].I.I.ICI
InChIInChI=1S/C4H7NO2.CH2I2.CH3I.CH3NO2.2CH4.2HI/c1-4(2)3-5(6)7;2-1-3;1-2;1-2(3)4;;;;/h3H,1-2H3;1H2;1H3;1H3;2*1H4;2*1H
InChIKeyPEEGNUQFXSNMQG-UHFFFAOYSA-N
MW859.83 g/mol
LogP6.45
Rot. Bonds1

About diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide

diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide (PubChem CID 157340596) has the molecular formula C9H25I5N2O4 and a molecular weight of 859.83 g/mol. Its IUPAC name is diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide.

Molecular Properties

Compound Namediiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide
PubChem CID157340596
Molecular FormulaC9H25I5N2O4
Molecular Weight859.83 g/mol
Exact Mass859.70
IUPAC Namediiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide
SMILESC.C.CC(C)=C[N+](=O)[O-].CI.C[N+](=O)[O-].I.I.ICI
InChIInChI=1S/C4H7NO2.CH2I2.CH3I.CH3NO2.2CH4.2HI/c1-4(2)3-5(6)7;2-1-3;1-2;1-2(3)4;;;;/h3H,1-2H3;1H2;1H3;1H3;2*1H4;2*1H
InChIKeyPEEGNUQFXSNMQG-UHFFFAOYSA-N
XLogP6.45
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.83
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

2,3-dimethyl-1,4-dinitrobuta-1,3-diene
CID 71423642
nitromethane;hydroiodide
CID 159753263
sodium (Z)-1-nitroprop-1-en-2-olate
CID 84818696
1-nitrobut-1-ene-2-thiol
CID 175323961
(E)-2-iodo-3,3-dimethyl-1-nitrobut-1-ene
CID 134875400
ethane;(4Z)-2-methylhexa-2,4-diene;nitromethane
CID 142945468
2,4-dimethyl-3-(nitromethylidene)pentane
CID 59382813
1-ethoxy-2-nitroethenol
CID 58981274
molecular nitrogen;nitromethane
CID 141240049
ethene;nitromethane
CID 161480182
3-methylbut-2-enyl nitrate
CID 10219448
1-[(Z)-1-nitroprop-1-en-2-yl]pyrrolidine
CID 58723509

Frequently Asked Questions

What is the IUPAC name of diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide?
The IUPAC name of diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide (CID 157340596) is diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide.
What is the SMILES notation for diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide?
The canonical SMILES for diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide is C.C.CC(C)=C[N+](=O)[O-].CI.C[N+](=O)[O-].I.I.ICI.
What is the InChIKey of diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide?
The InChIKey is PEEGNUQFXSNMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.CH2I2.CH3I.CH3NO2.2CH4.2HI/c1-4(2)3-5(6)7;2-1-3;1-2;1-2(3)4;;;;/h3H,1-2H3;1H2;1H3;1H3;2*1H4;2*1H.
What are the key properties of diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide?
diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide has a molecular weight of 859.83 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;iodomethane;methane;2-methyl-1-nitroprop-1-ene;nitromethane;dihydroiodide is sourced from PubChem (CID 157340596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).