but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride

C27H60F2N4O2PtSi5 — CID 158477175

IUPACbut-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride
SMILESC.C=CCC#N.C[SiH](C)O[SiH](C)C.C[Si](C)(CCCC#N)O[Si](C)(C)CCCC#N.C[Si](C)(F)CCCC#N.F.[Pt]
InChIInChI=1S/C12H24N2OSi2.C6H12FNSi.C4H5N.C4H14OSi2.CH4.FH.Pt/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-6(2)5-7(3)4;;;/h5-8,11-12H2,1-4H3;3-4,6H2,1-2H3;2H,1,3H2;6-7H,1-4H3;1H4;1H;
InChIKeyHHBQTCZBHYKJNI-UHFFFAOYSA-N
MW846.31 g/mol
LogP9.33
Rot. Bonds14

About but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride

but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride (PubChem CID 158477175) has the molecular formula C27H60F2N4O2PtSi5 and a molecular weight of 846.31 g/mol. Its IUPAC name is but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride.

Molecular Properties

Compound Namebut-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride
PubChem CID158477175
Molecular FormulaC27H60F2N4O2PtSi5
Molecular Weight846.31 g/mol
Exact Mass845.32
IUPAC Namebut-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride
SMILESC.C=CCC#N.C[SiH](C)O[SiH](C)C.C[Si](C)(CCCC#N)O[Si](C)(C)CCCC#N.C[Si](C)(F)CCCC#N.F.[Pt]
InChIInChI=1S/C12H24N2OSi2.C6H12FNSi.C4H5N.C4H14OSi2.CH4.FH.Pt/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-6(2)5-7(3)4;;;/h5-8,11-12H2,1-4H3;3-4,6H2,1-2H3;2H,1,3H2;6-7H,1-4H3;1H4;1H;
InChIKeyHHBQTCZBHYKJNI-UHFFFAOYSA-N
XLogP9.33
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.31
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride?
The IUPAC name of but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride (CID 158477175) is but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride.
What is the SMILES notation for but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride?
The canonical SMILES for but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride is C.C=CCC#N.C[SiH](C)O[SiH](C)C.C[Si](C)(CCCC#N)O[Si](C)(C)CCCC#N.C[Si](C)(F)CCCC#N.F.[Pt].
What is the InChIKey of but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride?
The InChIKey is HHBQTCZBHYKJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OSi2.C6H12FNSi.C4H5N.C4H14OSi2.CH4.FH.Pt/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-6(2)5-7(3)4;;;/h5-8,11-12H2,1-4H3;3-4,6H2,1-2H3;2H,1,3H2;6-7H,1-4H3;1H4;1H;.
What are the key properties of but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride?
but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride has a molecular weight of 846.31 g/mol, XLogP of 9.33, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enenitrile;4-[[3-cyanopropyl(dimethyl)silyl]oxy-dimethylsilyl]butanenitrile;dimethylsilyloxy(dimethyl)silane;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum;hydrofluoride is sourced from PubChem (CID 158477175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).