benzyl-chloro-dimethoxysilane;1-phenylethoxysilane

C17H25ClO3Si2 — CID 173322617

IUPACbenzyl-chloro-dimethoxysilane;1-phenylethoxysilane
SMILESCC(O[SiH3])c1ccccc1.CO[Si](Cl)(Cc1ccccc1)OC
InChIInChI=1S/C9H13ClO2Si.C8H12OSi/c1-11-13(10,12-2)8-9-6-4-3-5-7-9;1-7(9-10)8-5-3-2-4-6-8/h3-7H,8H2,1-2H3;2-7H,1,10H3
InChIKeyJFIMGZJAXGWQEO-UHFFFAOYSA-N
MW369.01 g/mol
LogP3.28
Rot. Bonds6

About benzyl-chloro-dimethoxysilane;1-phenylethoxysilane

benzyl-chloro-dimethoxysilane;1-phenylethoxysilane (PubChem CID 173322617) has the molecular formula C17H25ClO3Si2 and a molecular weight of 369.01 g/mol. Its IUPAC name is benzyl-chloro-dimethoxysilane;1-phenylethoxysilane.

Molecular Properties

Compound Namebenzyl-chloro-dimethoxysilane;1-phenylethoxysilane
PubChem CID173322617
Molecular FormulaC17H25ClO3Si2
Molecular Weight369.01 g/mol
Exact Mass368.10
IUPAC Namebenzyl-chloro-dimethoxysilane;1-phenylethoxysilane
SMILESCC(O[SiH3])c1ccccc1.CO[Si](Cl)(Cc1ccccc1)OC
InChIInChI=1S/C9H13ClO2Si.C8H12OSi/c1-11-13(10,12-2)8-9-6-4-3-5-7-9;1-7(9-10)8-5-3-2-4-6-8/h3-7H,8H2,1-2H3;2-7H,1,10H3
InChIKeyJFIMGZJAXGWQEO-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.01
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethoxy)ethylbenzene
CID 13140582
benzyl-diethyl-methoxysilane
CID 13486120
trimethyl(1-phenylethoxy)silane
CID 519015
benzyl(triethoxy)silane;propan-2-ol
CID 172724025
1-phenylethoxy(silyloxy)silane
CID 173324206
1-(chloromethyl)-3-(1-phenylethoxy)benzene
CID 175182456
1-phenylethyl (2R)-2-amino-3-phenylpropanoate
CID 104902256
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
benzyl-hydroxy-methoxy-phenylsilane
CID 175272041
trichloro-(1-methoxy-2-phenylethyl)silane
CID 67232088
benzyl-(4-chlorophenyl)-methoxy-phenylsilane
CID 10882324
1-phenyloctan-4-yloxysilane
CID 123554826

Frequently Asked Questions

What is the IUPAC name of benzyl-chloro-dimethoxysilane;1-phenylethoxysilane?
The IUPAC name of benzyl-chloro-dimethoxysilane;1-phenylethoxysilane (CID 173322617) is benzyl-chloro-dimethoxysilane;1-phenylethoxysilane.
What is the SMILES notation for benzyl-chloro-dimethoxysilane;1-phenylethoxysilane?
The canonical SMILES for benzyl-chloro-dimethoxysilane;1-phenylethoxysilane is CC(O[SiH3])c1ccccc1.CO[Si](Cl)(Cc1ccccc1)OC.
What is the InChIKey of benzyl-chloro-dimethoxysilane;1-phenylethoxysilane?
The InChIKey is JFIMGZJAXGWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2Si.C8H12OSi/c1-11-13(10,12-2)8-9-6-4-3-5-7-9;1-7(9-10)8-5-3-2-4-6-8/h3-7H,8H2,1-2H3;2-7H,1,10H3.
What are the key properties of benzyl-chloro-dimethoxysilane;1-phenylethoxysilane?
benzyl-chloro-dimethoxysilane;1-phenylethoxysilane has a molecular weight of 369.01 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-chloro-dimethoxysilane;1-phenylethoxysilane is sourced from PubChem (CID 173322617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).