benzyl-diethoxy-(3-phenylpropoxy)silane

C20H28O3Si — CID 67542765

IUPACbenzyl-diethoxy-(3-phenylpropoxy)silane
SMILESCCO[Si](Cc1ccccc1)(OCC)OCCCc1ccccc1
InChIInChI=1S/C20H28O3Si/c1-3-21-24(22-4-2,18-20-14-9-6-10-15-20)23-17-11-16-19-12-7-5-8-13-19/h5-10,12-15H,3-4,11,16-18H2,1-2H3
InChIKeyIBCOOGWRELINDK-UHFFFAOYSA-N
MW344.53 g/mol
LogP4.43
Rot. Bonds11

About benzyl-diethoxy-(3-phenylpropoxy)silane

benzyl-diethoxy-(3-phenylpropoxy)silane (PubChem CID 67542765) has the molecular formula C20H28O3Si and a molecular weight of 344.53 g/mol. Its IUPAC name is benzyl-diethoxy-(3-phenylpropoxy)silane.

Molecular Properties

Compound Namebenzyl-diethoxy-(3-phenylpropoxy)silane
PubChem CID67542765
Molecular FormulaC20H28O3Si
Molecular Weight344.53 g/mol
Exact Mass344.18
IUPAC Namebenzyl-diethoxy-(3-phenylpropoxy)silane
SMILESCCO[Si](Cc1ccccc1)(OCC)OCCCc1ccccc1
InChIInChI=1S/C20H28O3Si/c1-3-21-24(22-4-2,18-20-14-9-6-10-15-20)23-17-11-16-19-12-7-5-8-13-19/h5-10,12-15H,3-4,11,16-18H2,1-2H3
InChIKeyIBCOOGWRELINDK-UHFFFAOYSA-N
XLogP4.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 54.43
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

benzyl(triethoxy)silane;propan-2-ol
CID 172724025
benzyl-ethoxy-methoxy-(2-methoxyethoxy)silane
CID 174913624
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305
tributyl(3-phenylpropoxy)silane
CID 624018
[amino(diethoxy)silyl]methylbenzene
CID 54560418
benzyl-ethoxy-diethylsilane
CID 13486124
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane
CID 86258533
6-ethoxyhexylbenzene
CID 54300935
3-decoxypropylbenzene
CID 150065328

Frequently Asked Questions

What is the IUPAC name of benzyl-diethoxy-(3-phenylpropoxy)silane?
The IUPAC name of benzyl-diethoxy-(3-phenylpropoxy)silane (CID 67542765) is benzyl-diethoxy-(3-phenylpropoxy)silane.
What is the SMILES notation for benzyl-diethoxy-(3-phenylpropoxy)silane?
The canonical SMILES for benzyl-diethoxy-(3-phenylpropoxy)silane is CCO[Si](Cc1ccccc1)(OCC)OCCCc1ccccc1.
What is the InChIKey of benzyl-diethoxy-(3-phenylpropoxy)silane?
The InChIKey is IBCOOGWRELINDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3Si/c1-3-21-24(22-4-2,18-20-14-9-6-10-15-20)23-17-11-16-19-12-7-5-8-13-19/h5-10,12-15H,3-4,11,16-18H2,1-2H3.
What are the key properties of benzyl-diethoxy-(3-phenylpropoxy)silane?
benzyl-diethoxy-(3-phenylpropoxy)silane has a molecular weight of 344.53 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diethoxy-(3-phenylpropoxy)silane is sourced from PubChem (CID 67542765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).