ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)

C8H15Cl6N2O2Sb — CID 16750702

IUPACethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)
SMILESCCOC(=O)N=[N+]=C(C)C(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C8H15N2O2.6ClH.Sb/c1-5-12-8(11)10-9-7(4)6(2)3;;;;;;;/h6H,5H2,1-4H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyMATNGGPZEIESQN-UHFFFAOYSA-H
MW505.70 g/mol
LogP5.68
Rot. Bonds2

About ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)

ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-) (PubChem CID 16750702) has the molecular formula C8H15Cl6N2O2Sb and a molecular weight of 505.70 g/mol. Its IUPAC name is ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-).

Molecular Properties

Compound Nameethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)
PubChem CID16750702
Molecular FormulaC8H15Cl6N2O2Sb
Molecular Weight505.70 g/mol
Exact Mass501.83
IUPAC Nameethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)
SMILESCCOC(=O)N=[N+]=C(C)C(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
InChIInChI=1S/C8H15N2O2.6ClH.Sb/c1-5-12-8(11)10-9-7(4)6(2)3;;;;;;;/h6H,5H2,1-4H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyMATNGGPZEIESQN-UHFFFAOYSA-H
XLogP5.68
TPSA52.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl (1E)-N-ethoxycarbonyl-2-methylpropanimidate
CID 14245746
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethyl acetate;2-methylpropanamide
CID 174848751
ethyl 2-methylpropanoate;pentachloro-λ5-stibane
CID 139244131
2-methylpropyl N-ethoxycarbonyliminocarbamate
CID 140646450
ethyl acetate;propan-2-ol;hydrate
CID 22041847
chloroform;ethyl acetate
CID 173213410
chloroform;ethyl acetate
CID 22063688
potassium;ethyl N-ethoxycarbonyliminocarbamate;bromide
CID 173295578
chloroform;ethyl acetate
CID 173321498

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)?
The IUPAC name of ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-) (CID 16750702) is ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-).
What is the SMILES notation for ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)?
The canonical SMILES for ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-) is CCOC(=O)N=[N+]=C(C)C(C)C.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.
What is the InChIKey of ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)?
The InChIKey is MATNGGPZEIESQN-UHFFFAOYSA-H. The full InChI is InChI=1S/C8H15N2O2.6ClH.Sb/c1-5-12-8(11)10-9-7(4)6(2)3;;;;;;;/h6H,5H2,1-4H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-)?
ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-) has a molecular weight of 505.70 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonylimino(3-methylbutan-2-ylidene)azanium;hexachloroantimony(1-) is sourced from PubChem (CID 16750702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).