ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)

C108H134NO3S5Si5+5 — CID 160898900

IUPACethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)
SMILESCC.CCC[SiH3].CCNCCC[SiH3].COCCC[SiH3].COC[SiH3].COC[SiH3].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/5C18H15S.C5H15NSi.C4H12OSi.C3H10Si.2C2H8OSi.C2H6/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-4-3-5-7;1-5-3-2-4-6;1-2-3-4;2*1-3-2-4;1-2/h5*1-15H;6H,2-5H2,1,7H3;2-4H2,1,6H3;2-3H2,1,4H3;2*2H2,1,4H3;1-2H3/q5*+1;;;;;;
InChIKeySPFWQZLNJKCCPQ-UHFFFAOYSA-N
MW1795.03 g/mol
LogP22.60
Rot. Bonds25

About ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)

ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium) (PubChem CID 160898900) has the molecular formula C108H134NO3S5Si5+5 and a molecular weight of 1795.03 g/mol. Its IUPAC name is ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium).

Molecular Properties

Compound Nameethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)
PubChem CID160898900
Molecular FormulaC108H134NO3S5Si5+5
Molecular Weight1795.03 g/mol
Exact Mass1792.78
IUPAC Nameethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)
SMILESCC.CCC[SiH3].CCNCCC[SiH3].COCCC[SiH3].COC[SiH3].COC[SiH3].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/5C18H15S.C5H15NSi.C4H12OSi.C3H10Si.2C2H8OSi.C2H6/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-4-3-5-7;1-5-3-2-4-6;1-2-3-4;2*1-3-2-4;1-2/h5*1-15H;6H,2-5H2,1,7H3;2-4H2,1,6H3;2-3H2,1,4H3;2*2H2,1,4H3;1-2H3/q5*+1;;;;;;
InChIKeySPFWQZLNJKCCPQ-UHFFFAOYSA-N
XLogP22.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001795.03
LogP ≤ 522.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)?
The IUPAC name of ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium) (CID 160898900) is ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium).
What is the SMILES notation for ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)?
The canonical SMILES for ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium) is CC.CCC[SiH3].CCNCCC[SiH3].COCCC[SiH3].COC[SiH3].COC[SiH3].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)?
The InChIKey is SPFWQZLNJKCCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H15S.C5H15NSi.C4H12OSi.C3H10Si.2C2H8OSi.C2H6/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-4-3-5-7;1-5-3-2-4-6;1-2-3-4;2*1-3-2-4;1-2/h5*1-15H;6H,2-5H2,1,7H3;2-4H2,1,6H3;2-3H2,1,4H3;2*2H2,1,4H3;1-2H3/q5*+1;;;;;;.
What are the key properties of ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium)?
ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium) has a molecular weight of 1795.03 g/mol, XLogP of 22.60, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-silylpropan-1-amine;methoxymethylsilane;3-methoxypropylsilane;propylsilane;pentakis(triphenylsulfanium) is sourced from PubChem (CID 160898900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).