but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride

C18H37Cl2F2N3PtSi3 — CID 161449432

IUPACbut-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride
SMILESC=CCC#N.C[SiH](C)Cl.C[Si](C)(Cl)CCCC#N.C[Si](C)(F)CCCC#N.F.[Pt]
InChIInChI=1S/C6H12ClNSi.C6H12FNSi.C4H5N.C2H7ClSi.FH.Pt/c2*1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;/h2*3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;1H;
InChIKeyWAIHFJMOGCYEKJ-UHFFFAOYSA-N
MW683.75 g/mol
LogP7.64
Rot. Bonds7

About but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride

but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride (PubChem CID 161449432) has the molecular formula C18H37Cl2F2N3PtSi3 and a molecular weight of 683.75 g/mol. Its IUPAC name is but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride.

Molecular Properties

Compound Namebut-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride
PubChem CID161449432
Molecular FormulaC18H37Cl2F2N3PtSi3
Molecular Weight683.75 g/mol
Exact Mass682.13
IUPAC Namebut-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride
SMILESC=CCC#N.C[SiH](C)Cl.C[Si](C)(Cl)CCCC#N.C[Si](C)(F)CCCC#N.F.[Pt]
InChIInChI=1S/C6H12ClNSi.C6H12FNSi.C4H5N.C2H7ClSi.FH.Pt/c2*1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;/h2*3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;1H;
InChIKeyWAIHFJMOGCYEKJ-UHFFFAOYSA-N
XLogP7.64
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.75
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
The IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride (CID 161449432) is but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride.
What is the SMILES notation for but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
The canonical SMILES for but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride is C=CCC#N.C[SiH](C)Cl.C[Si](C)(Cl)CCCC#N.C[Si](C)(F)CCCC#N.F.[Pt].
What is the InChIKey of but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
The InChIKey is WAIHFJMOGCYEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNSi.C6H12FNSi.C4H5N.C2H7ClSi.FH.Pt/c2*1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;/h2*3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;1H;.
What are the key properties of but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride?
but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride has a molecular weight of 683.75 g/mol, XLogP of 7.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enenitrile;chloro(dimethyl)silane;4-[chloro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;platinum;hydrofluoride is sourced from PubChem (CID 161449432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).