but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride

C15H35ClF2N2PtSi3 — CID 159664422

IUPACbut-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride
SMILESC=CCC#N.C[SiH](C)Cl.C[SiH](C)F.C[Si](C)(C)CCCC#N.F.[Pt]
InChIInChI=1S/C7H15NSi.C4H5N.C2H7ClSi.C2H7FSi.FH.Pt/c1-9(2,3)7-5-4-6-8;1-2-3-4-5;2*1-4(2)3;;/h4-5,7H2,1-3H3;2H,1,3H2;2*4H,1-2H3;1H;
InChIKeyMTFJANSPPUECAO-UHFFFAOYSA-N
MW596.24 g/mol
LogP6.01
Rot. Bonds4

About but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride

but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride (PubChem CID 159664422) has the molecular formula C15H35ClF2N2PtSi3 and a molecular weight of 596.24 g/mol. Its IUPAC name is but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride.

Molecular Properties

Compound Namebut-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride
PubChem CID159664422
Molecular FormulaC15H35ClF2N2PtSi3
Molecular Weight596.24 g/mol
Exact Mass595.14
IUPAC Namebut-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride
SMILESC=CCC#N.C[SiH](C)Cl.C[SiH](C)F.C[Si](C)(C)CCCC#N.F.[Pt]
InChIInChI=1S/C7H15NSi.C4H5N.C2H7ClSi.C2H7FSi.FH.Pt/c1-9(2,3)7-5-4-6-8;1-2-3-4-5;2*1-4(2)3;;/h4-5,7H2,1-3H3;2H,1,3H2;2*4H,1-2H3;1H;
InChIKeyMTFJANSPPUECAO-UHFFFAOYSA-N
XLogP6.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.24
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride?
The IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride (CID 159664422) is but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride.
What is the SMILES notation for but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride?
The canonical SMILES for but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride is C=CCC#N.C[SiH](C)Cl.C[SiH](C)F.C[Si](C)(C)CCCC#N.F.[Pt].
What is the InChIKey of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride?
The InChIKey is MTFJANSPPUECAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NSi.C4H5N.C2H7ClSi.C2H7FSi.FH.Pt/c1-9(2,3)7-5-4-6-8;1-2-3-4-5;2*1-4(2)3;;/h4-5,7H2,1-3H3;2H,1,3H2;2*4H,1-2H3;1H;.
What are the key properties of but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride?
but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride has a molecular weight of 596.24 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enenitrile;chloro(dimethyl)silane;fluoro(dimethyl)silane;platinum;4-trimethylsilylbutanenitrile;hydrofluoride is sourced from PubChem (CID 159664422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).