4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline

C24H45NO6Si2 — CID 23067785

IUPAC4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
SMILESC=Cc1ccc(N(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C24H45NO6Si2/c1-8-23-15-17-24(18-16-23)25(19-21-32(26-9-2,27-10-3)28-11-4)20-22-33(29-12-5,30-13-6)31-14-7/h8,15-18H,1,9-14,19-22H2,2-7H3
InChIKeyMDMSRUGLJSSRHL-UHFFFAOYSA-N
MW499.80 g/mol
LogP5.23
Rot. Bonds20

About 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline

4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline (PubChem CID 23067785) has the molecular formula C24H45NO6Si2 and a molecular weight of 499.80 g/mol. Its IUPAC name is 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline.

Molecular Properties

Compound Name4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
PubChem CID23067785
Molecular FormulaC24H45NO6Si2
Molecular Weight499.80 g/mol
Exact Mass499.28
IUPAC Name4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
SMILESC=Cc1ccc(N(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C24H45NO6Si2/c1-8-23-15-17-24(18-16-23)25(19-21-32(26-9-2,27-10-3)28-11-4)20-22-33(29-12-5,30-13-6)31-14-7/h8,15-18H,1,9-14,19-22H2,2-7H3
InChIKeyMDMSRUGLJSSRHL-UHFFFAOYSA-N
XLogP5.23
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.80
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
CID 66815318
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
2-[4-ethenyl-N-(2-hydroxyethyl)anilino]ethanol
CID 69382190
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
N-[4-[4-(4-ethenyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-triethoxysilylpropyl)phenyl]naphthalen-1-amine
CID 59431032
(4-ethenylphenyl)-ethoxy-diethylsilane
CID 67302688
ethenyl(triethoxy)silane;styrene
CID 23372435
2-(4-ethenylphenyl)ethoxy-ethoxy-dipropylsilane
CID 140668375
ethene;ethoxy(trihydroxy)silane;styrene
CID 174819091
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline?
The IUPAC name of 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline (CID 23067785) is 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline.
What is the SMILES notation for 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline?
The canonical SMILES for 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline is C=Cc1ccc(N(CC[Si](OCC)(OCC)OCC)CC[Si](OCC)(OCC)OCC)cc1.
What is the InChIKey of 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline?
The InChIKey is MDMSRUGLJSSRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO6Si2/c1-8-23-15-17-24(18-16-23)25(19-21-32(26-9-2,27-10-3)28-11-4)20-22-33(29-12-5,30-13-6)31-14-7/h8,15-18H,1,9-14,19-22H2,2-7H3.
What are the key properties of 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline?
4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline has a molecular weight of 499.80 g/mol, XLogP of 5.23, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline is sourced from PubChem (CID 23067785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).