bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)

C36H56O8PtSi2+2 — CID 175720659

IUPACbis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
SMILESCCCC[Si](OC)(OC)C(C(=O)CCC)C(=O)c1ccccc1.CCCC[Si](OC)(OC)C(C(=O)CCC)C(=O)c1ccccc1.[Pt+2]
InChIInChI=1S/2C18H28O4Si.Pt/c2*1-5-7-14-23(21-3,22-4)18(16(19)11-6-2)17(20)15-12-9-8-10-13-15;/h2*8-10,12-13,18H,5-7,11,14H2,1-4H3;/q;;+2
InChIKeyZMYHNZTUVWZVMT-UHFFFAOYSA-N
MW868.09 g/mol
LogP8.29
Rot. Bonds22

About bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)

bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+) (PubChem CID 175720659) has the molecular formula C36H56O8PtSi2+2 and a molecular weight of 868.09 g/mol. Its IUPAC name is bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+).

Molecular Properties

Compound Namebis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
PubChem CID175720659
Molecular FormulaC36H56O8PtSi2+2
Molecular Weight868.09 g/mol
Exact Mass867.32
IUPAC Namebis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)
SMILESCCCC[Si](OC)(OC)C(C(=O)CCC)C(=O)c1ccccc1.CCCC[Si](OC)(OC)C(C(=O)CCC)C(=O)c1ccccc1.[Pt+2]
InChIInChI=1S/2C18H28O4Si.Pt/c2*1-5-7-14-23(21-3,22-4)18(16(19)11-6-2)17(20)15-12-9-8-10-13-15;/h2*8-10,12-13,18H,5-7,11,14H2,1-4H3;/q;;+2
InChIKeyZMYHNZTUVWZVMT-UHFFFAOYSA-N
XLogP8.29
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.09
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(dimethoxy)silyl]-1-phenylbutane-1,3-dione
CID 175720715
2-[dimethoxy(propyl)silyl]-1-phenylbutane-1,3-dione
CID 175720772
3-hydroxy-1-phenyl-2-tributylsilyloxypropan-1-one
CID 11382955
methyl 4-(butylamino)-5-oxo-5-phenylpentanoate
CID 82347398
methyl 2-benzyl-3-oxohexanoate
CID 10847297
2-pentyl-1-phenylheptan-1-one
CID 67882345
methyl benzoate;pentane
CID 142510193
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
2-fluoro-1-phenylhexan-1-one
CID 165359070
(1-methoxy-1,3-dioxohexan-2-yl) benzoate
CID 102385655
2-(2-chloroethyl)-1-phenylhexan-1-one
CID 154318606
butyl 2-benzyl-3-oxo-3-phenylpropanoate
CID 66554215

Frequently Asked Questions

What is the IUPAC name of bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)?
The IUPAC name of bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+) (CID 175720659) is bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+).
What is the SMILES notation for bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)?
The canonical SMILES for bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+) is CCCC[Si](OC)(OC)C(C(=O)CCC)C(=O)c1ccccc1.CCCC[Si](OC)(OC)C(C(=O)CCC)C(=O)c1ccccc1.[Pt+2].
What is the InChIKey of bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)?
The InChIKey is ZMYHNZTUVWZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H28O4Si.Pt/c2*1-5-7-14-23(21-3,22-4)18(16(19)11-6-2)17(20)15-12-9-8-10-13-15;/h2*8-10,12-13,18H,5-7,11,14H2,1-4H3;/q;;+2.
What are the key properties of bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+)?
bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+) has a molecular weight of 868.09 g/mol, XLogP of 8.29, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[butyl(dimethoxy)silyl]-1-phenylhexane-1,3-dione);platinum(2+) is sourced from PubChem (CID 175720659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).