tributoxy(4-phenylbut-1-enyl)silane

C22H38O3Si — CID 141377455

IUPACtributoxy(4-phenylbut-1-enyl)silane
SMILESCCCCO[Si](C=CCCc1ccccc1)(OCCCC)OCCCC
InChIInChI=1S/C22H38O3Si/c1-4-7-18-23-26(24-19-8-5-2,25-20-9-6-3)21-14-13-17-22-15-11-10-12-16-22/h10-12,14-16,21H,4-9,13,17-20H2,1-3H3
InChIKeyURKRADZTDODBOG-UHFFFAOYSA-N
MW378.63 g/mol
LogP6.10
Rot. Bonds16

About tributoxy(4-phenylbut-1-enyl)silane

tributoxy(4-phenylbut-1-enyl)silane (PubChem CID 141377455) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is tributoxy(4-phenylbut-1-enyl)silane.

Molecular Properties

Compound Nametributoxy(4-phenylbut-1-enyl)silane
PubChem CID141377455
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Nametributoxy(4-phenylbut-1-enyl)silane
SMILESCCCCO[Si](C=CCCc1ccccc1)(OCCCC)OCCCC
InChIInChI=1S/C22H38O3Si/c1-4-7-18-23-26(24-19-8-5-2,25-20-9-6-3)21-14-13-17-22-15-11-10-12-16-22/h10-12,14-16,21H,4-9,13,17-20H2,1-3H3
InChIKeyURKRADZTDODBOG-UHFFFAOYSA-N
XLogP6.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris[(2-methylpropan-2-yl)oxy]-[(E)-4-phenylbut-1-enyl]silane
CID 102572986
trihexoxy(2-phenylethenyl)silane
CID 145052081
tributyl(3-phenylpropoxy)silane
CID 624018
tripropoxy(tetradec-1-enyl)silane
CID 155797355
diethyl-hexoxy-(2-phenylethoxy)silane
CID 91740585
10-butoxydecylbenzene
CID 151496754
dodec-4-enylbenzene
CID 54018856
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
nonadec-10-enylbenzene
CID 54264053
2-(butoxymethoxy)ethylbenzene
CID 14640423
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279

Frequently Asked Questions

What is the IUPAC name of tributoxy(4-phenylbut-1-enyl)silane?
The IUPAC name of tributoxy(4-phenylbut-1-enyl)silane (CID 141377455) is tributoxy(4-phenylbut-1-enyl)silane.
What is the SMILES notation for tributoxy(4-phenylbut-1-enyl)silane?
The canonical SMILES for tributoxy(4-phenylbut-1-enyl)silane is CCCCO[Si](C=CCCc1ccccc1)(OCCCC)OCCCC.
What is the InChIKey of tributoxy(4-phenylbut-1-enyl)silane?
The InChIKey is URKRADZTDODBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-4-7-18-23-26(24-19-8-5-2,25-20-9-6-3)21-14-13-17-22-15-11-10-12-16-22/h10-12,14-16,21H,4-9,13,17-20H2,1-3H3.
What are the key properties of tributoxy(4-phenylbut-1-enyl)silane?
tributoxy(4-phenylbut-1-enyl)silane has a molecular weight of 378.63 g/mol, XLogP of 6.10, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy(4-phenylbut-1-enyl)silane is sourced from PubChem (CID 141377455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).