benzyl(triethoxy)silane;propan-2-ol

C16H30O4Si — CID 172724025

IUPACbenzyl(triethoxy)silane;propan-2-ol
SMILESCC(C)O.CCO[Si](Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C13H22O3Si.C3H8O/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13;1-3(2)4/h7-11H,4-6,12H2,1-3H3;3-4H,1-2H3
InChIKeyGWZVLYBUHCUESD-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.20
Rot. Bonds8

About benzyl(triethoxy)silane;propan-2-ol

benzyl(triethoxy)silane;propan-2-ol (PubChem CID 172724025) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is benzyl(triethoxy)silane;propan-2-ol.

Molecular Properties

Compound Namebenzyl(triethoxy)silane;propan-2-ol
PubChem CID172724025
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namebenzyl(triethoxy)silane;propan-2-ol
SMILESCC(C)O.CCO[Si](Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C13H22O3Si.C3H8O/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13;1-3(2)4/h7-11H,4-6,12H2,1-3H3;3-4H,1-2H3
InChIKeyGWZVLYBUHCUESD-UHFFFAOYSA-N
XLogP3.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765
benzyl-ethoxy-methoxy-(2-methoxyethoxy)silane
CID 174913624
[amino(diethoxy)silyl]methylbenzene
CID 54560418
benzyl-ethoxy-diethylsilane
CID 13486124
benzyl-diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)silane
CID 139931305
2-(triethoxysilylmethyl)benzenethiol
CID 141156182
[diethoxy(methyl)silyl]-phenylmethanol
CID 140892861
methyl 2-benzyl-3-triethoxysilylpropanoate
CID 101367769
4-[diethoxy(1-phenylpropan-2-yloxy)silyl]butanamide
CID 175314964
[4-(triethoxysilylmethyl)phenyl] formate
CID 170938191
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
(2-ethenylphenyl)methyl-triethoxysilane
CID 67544358

Frequently Asked Questions

What is the IUPAC name of benzyl(triethoxy)silane;propan-2-ol?
The IUPAC name of benzyl(triethoxy)silane;propan-2-ol (CID 172724025) is benzyl(triethoxy)silane;propan-2-ol.
What is the SMILES notation for benzyl(triethoxy)silane;propan-2-ol?
The canonical SMILES for benzyl(triethoxy)silane;propan-2-ol is CC(C)O.CCO[Si](Cc1ccccc1)(OCC)OCC.
What is the InChIKey of benzyl(triethoxy)silane;propan-2-ol?
The InChIKey is GWZVLYBUHCUESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3Si.C3H8O/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13;1-3(2)4/h7-11H,4-6,12H2,1-3H3;3-4H,1-2H3.
What are the key properties of benzyl(triethoxy)silane;propan-2-ol?
benzyl(triethoxy)silane;propan-2-ol has a molecular weight of 314.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triethoxy)silane;propan-2-ol is sourced from PubChem (CID 172724025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).