N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine

C25H39NOSi2 — CID 140798524

IUPACN-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine
SMILESC=C(c1ccccc1)c1ccc([Si](C)(O[Si](C)(C)C(C)(C)C)N(CC)CC)cc1
InChIInChI=1S/C25H39NOSi2/c1-10-26(11-2)29(9,27-28(7,8)25(4,5)6)24-19-17-23(18-20-24)21(3)22-15-13-12-14-16-22/h12-20H,3,10-11H2,1-2,4-9H3
InChIKeyNNGYNKWPBIZRKS-UHFFFAOYSA-N
MW425.77 g/mol
LogP6.39
Rot. Bonds8

About N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine

N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine (PubChem CID 140798524) has the molecular formula C25H39NOSi2 and a molecular weight of 425.77 g/mol. Its IUPAC name is N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine
PubChem CID140798524
Molecular FormulaC25H39NOSi2
Molecular Weight425.77 g/mol
Exact Mass425.26
IUPAC NameN-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine
SMILESC=C(c1ccccc1)c1ccc([Si](C)(O[Si](C)(C)C(C)(C)C)N(CC)CC)cc1
InChIInChI=1S/C25H39NOSi2/c1-10-26(11-2)29(9,27-28(7,8)25(4,5)6)24-19-17-23(18-20-24)21(3)22-15-13-12-14-16-22/h12-20H,3,10-11H2,1-2,4-9H3
InChIKeyNNGYNKWPBIZRKS-UHFFFAOYSA-N
XLogP6.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.77
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
ethoxyethane;1-phenylethenylbenzene
CID 69353422
2-[[[tert-butyl(dimethyl)silyl]amino]-dimethylsilyl]-2-methylpropane;1-methyl-4-(1-phenylethenyl)benzene
CID 66742440
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-methylamino]phenyl]ethenyl]-N-methylaniline
CID 170900396
N-[ditert-butyl(phenyl)silyl]-N-ethylethanamine
CID 67342826
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
benzoyloxymethyl 3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 67706731
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
N-ethyl-N-[methyl(diphenyl)silyl]ethanamine
CID 13314563

Frequently Asked Questions

What is the IUPAC name of N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine?
The IUPAC name of N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine (CID 140798524) is N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine.
What is the SMILES notation for N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine?
The canonical SMILES for N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine is C=C(c1ccccc1)c1ccc([Si](C)(O[Si](C)(C)C(C)(C)C)N(CC)CC)cc1.
What is the InChIKey of N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine?
The InChIKey is NNGYNKWPBIZRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NOSi2/c1-10-26(11-2)29(9,27-28(7,8)25(4,5)6)24-19-17-23(18-20-24)21(3)22-15-13-12-14-16-22/h12-20H,3,10-11H2,1-2,4-9H3.
What are the key properties of N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine?
N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine has a molecular weight of 425.77 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[tert-butyl(dimethyl)silyl]oxy-methyl-[4-(1-phenylethenyl)phenyl]silyl]-N-ethylethanamine is sourced from PubChem (CID 140798524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).