N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride

C41H78FNO7Si6 — CID 177125282

IUPACN,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
SMILESCC[Si](C)(CCC[Si](OC)(OC)OC)c1ccc([Si](C)(C)CCCN(CCC[Si](C)(C)c2ccc([Si](C)(CC)CCC[Si](OC)(OC)OC)cc2)C(=O)F)cc1
InChIInChI=1S/C41H78FNO7Si6/c1-15-53(13,33-19-35-55(45-3,46-4)47-5)39-25-21-37(22-26-39)51(9,10)31-17-29-43(41(42)44)30-18-32-52(11,12)38-23-27-40(28-24-38)54(14,16-2)34-20-36-56(48-6,49-7)50-8/h21-28H,15-20,29-36H2,1-14H3
InChIKeyZPUJLJVLPFEKKX-UHFFFAOYSA-N
MW884.59 g/mol
LogP8.54
Rot. Bonds28

About N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride

N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride (PubChem CID 177125282) has the molecular formula C41H78FNO7Si6 and a molecular weight of 884.59 g/mol. Its IUPAC name is N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride.

Molecular Properties

Compound NameN,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
PubChem CID177125282
Molecular FormulaC41H78FNO7Si6
Molecular Weight884.59 g/mol
Exact Mass883.44
IUPAC NameN,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
SMILESCC[Si](C)(CCC[Si](OC)(OC)OC)c1ccc([Si](C)(C)CCCN(CCC[Si](C)(C)c2ccc([Si](C)(CC)CCC[Si](OC)(OC)OC)cc2)C(=O)F)cc1
InChIInChI=1S/C41H78FNO7Si6/c1-15-53(13,33-19-35-55(45-3,46-4)47-5)39-25-21-37(22-26-39)51(9,10)31-17-29-43(41(42)44)30-18-32-52(11,12)38-23-27-40(28-24-38)54(14,16-2)34-20-36-56(48-6,49-7)50-8/h21-28H,15-20,29-36H2,1-14H3
InChIKeyZPUJLJVLPFEKKX-UHFFFAOYSA-N
XLogP8.54
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.59
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide
CID 170703045
N,N-bis[3-[[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride
CID 177125346
bis(N,N-diethylcarbamoyloxy)diphenylsilane
CID 138454603
1-[dimethoxy(phenyl)silyl]-N,N-bis[1-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 19902660
CID 23596930
CID 23596930
3-[dimethoxy(phenyl)silyl]-N,N-bis[3-[dimethoxy(phenyl)silyl]propyl]propan-1-amine
CID 54289355
1,1-Bis[3-[diethoxy(phenyl)silyl]propyl]urea
CID 173892397
CID 23596931
CID 23596931
[tert-butyl(diphenyl)silyl] N,N-diethylcarbamate
CID 101858554
3-[[Dimethyl(phenyl)silyl]oxy-[[dimethyl(phenyl)silyl]oxy-methoxy-methylsilyloxysilyl]oxy-methoxysilyl]propyl-dimethyl-octadecylazanium
CID 160645610

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
The IUPAC name of N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride (CID 177125282) is N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride.
What is the SMILES notation for N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
The canonical SMILES for N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride is CC[Si](C)(CCC[Si](OC)(OC)OC)c1ccc([Si](C)(C)CCCN(CCC[Si](C)(C)c2ccc([Si](C)(CC)CCC[Si](OC)(OC)OC)cc2)C(=O)F)cc1.
What is the InChIKey of N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
The InChIKey is ZPUJLJVLPFEKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H78FNO7Si6/c1-15-53(13,33-19-35-55(45-3,46-4)47-5)39-25-21-37(22-26-39)51(9,10)31-17-29-43(41(42)44)30-18-32-52(11,12)38-23-27-40(28-24-38)54(14,16-2)34-20-36-56(48-6,49-7)50-8/h21-28H,15-20,29-36H2,1-14H3.
What are the key properties of N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride?
N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride has a molecular weight of 884.59 g/mol, XLogP of 8.54, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-[[4-[ethyl-methyl-(3-trimethoxysilylpropyl)silyl]phenyl]-dimethylsilyl]propyl]carbamoyl fluoride is sourced from PubChem (CID 177125282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).