dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate

C27H63Mg2N3OSi6 — CID 139118447

IUPACdimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate
SMILESC/C=C(\[O-])c1ccccc1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Mg+2].[Mg+2]
InChIInChI=1S/C9H10O.3C6H18NSi2.2Mg/c1-2-9(10)8-6-4-3-5-7-8;3*1-8(2,3)7-9(4,5)6;;/h2-7,10H,1H3;3*1-6H3;;/q;3*-1;2*+2/p-1/b9-2-;;;;;
InChIKeyQYDCPVSCEGZCIM-HFCFNBBXSA-M
MW662.95 g/mol
LogP9.74
Rot. Bonds7

About dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate

dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate (PubChem CID 139118447) has the molecular formula C27H63Mg2N3OSi6 and a molecular weight of 662.95 g/mol. Its IUPAC name is dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate.

Molecular Properties

Compound Namedimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate
PubChem CID139118447
Molecular FormulaC27H63Mg2N3OSi6
Molecular Weight662.95 g/mol
Exact Mass661.33
IUPAC Namedimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate
SMILESC/C=C(\[O-])c1ccccc1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Mg+2].[Mg+2]
InChIInChI=1S/C9H10O.3C6H18NSi2.2Mg/c1-2-9(10)8-6-4-3-5-7-8;3*1-8(2,3)7-9(4,5)6;;/h2-7,10H,1H3;3*1-6H3;;/q;3*-1;2*+2/p-1/b9-2-;;;;;
InChIKeyQYDCPVSCEGZCIM-HFCFNBBXSA-M
XLogP9.74
TPSA65.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.95
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

magnesium;potassium;tris(bis(trimethylsilyl)azanide);toluene
CID 139106439
(E)-2-fluoro-1-phenylethenolate
CID 135042724
zinc;tris(bis(trimethylsilyl)azanide);rubidium(1+);toluene
CID 139106442
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
2-phenylbut-2-enoate
CID 4099750
(E)-2-phenylbut-2-enoate
CID 6379118
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
(Z)-1-phenyl-2-triphenylarsoniumylethenolate
CID 6314512
barium(2+) benzoate
CID 22608800
potassium;bis(bis(trimethylsilyl)azanide);1-[dimethyl(trimethylsilylazanidyl)silyl]ethenolate;1,4,7,10,13,16-hexaoxacyclooctadecane;toluene;yttrium(3+)
CID 139121037

Frequently Asked Questions

What is the IUPAC name of dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate?
The IUPAC name of dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate (CID 139118447) is dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate.
What is the SMILES notation for dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate?
The canonical SMILES for dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate is C/C=C(\[O-])c1ccccc1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate?
The InChIKey is QYDCPVSCEGZCIM-HFCFNBBXSA-M. The full InChI is InChI=1S/C9H10O.3C6H18NSi2.2Mg/c1-2-9(10)8-6-4-3-5-7-8;3*1-8(2,3)7-9(4,5)6;;/h2-7,10H,1H3;3*1-6H3;;/q;3*-1;2*+2/p-1/b9-2-;;;;;.
What are the key properties of dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate?
dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate has a molecular weight of 662.95 g/mol, XLogP of 9.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;tris(bis(trimethylsilyl)azanide);(Z)-1-phenylprop-1-en-1-olate is sourced from PubChem (CID 139118447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).