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

C21H48ClF2N3PtSi3 — CID 158585554

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

but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum (PubChem CID 158585554) has the molecular formula C21H48ClF2N3PtSi3 and a molecular weight of 695.42 g/mol. Its IUPAC name is but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum.

Molecular Properties

• Compound Name: but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum
• PubChem CID: 158585554
• Molecular Formula: C21H48ClF2N3PtSi3
• Molecular Weight: 695.42 g/mol
• Exact Mass: 694.25
• IUPAC Name: but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum
• SMILES: C.C.C.C=CCC#N.CC(CC#N)[Si](C)(C)F.C[SiH](C)Cl.C[Si](C)(F)CCCC#N.[Pt]
• InChI: InChI=1S/2C6H12FNSi.C4H5N.C2H7ClSi.3CH4.Pt/c1-6(4-5-8)9(2,3)7;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;;;/h6H,4H2,1-3H3;3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;3*1H4
• InChIKey: HTTYCEXFAMKPJZ-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 71.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.42
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?

The IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum (CID 158585554) is but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum.

What is the SMILES notation for but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?

The canonical SMILES for but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum is C.C.C.C=CCC#N.CC(CC#N)[Si](C)(C)F.C[SiH](C)Cl.C[Si](C)(F)CCCC#N.[Pt].

What is the InChIKey of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?

The InChIKey is HTTYCEXFAMKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12FNSi.C4H5N.C2H7ClSi.3CH4.Pt/c1-6(4-5-8)9(2,3)7;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;;;/h6H,4H2,1-3H3;3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;3*1H4;.

What are the key properties of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?

but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum has a molecular weight of 695.42 g/mol, XLogP of 9.13, 6 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;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum is sourced from PubChem (CID 158585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).