triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane

C21H40O7Si2 — CID 59566709

IUPACtriethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane
SMILESCCO[Si](CCc1c(OC)cccc1[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C21H40O7Si2/c1-8-23-29(24-9-2,25-10-3)18-17-19-20(22-7)15-14-16-21(19)30(26-11-4,27-12-5)28-13-6/h14-16H,8-13,17-18H2,1-7H3
InChIKeyNHRIXQVLOFEJKE-UHFFFAOYSA-N
MW460.72 g/mol
LogP3.54
Rot. Bonds17

About triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane

triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane (PubChem CID 59566709) has the molecular formula C21H40O7Si2 and a molecular weight of 460.72 g/mol. Its IUPAC name is triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane
PubChem CID59566709
Molecular FormulaC21H40O7Si2
Molecular Weight460.72 g/mol
Exact Mass460.23
IUPAC Nametriethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane
SMILESCCO[Si](CCc1c(OC)cccc1[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C21H40O7Si2/c1-8-23-29(24-9-2,25-10-3)18-17-19-20(22-7)15-14-16-21(19)30(26-11-4,27-12-5)28-13-6/h14-16H,8-13,17-18H2,1-7H3
InChIKeyNHRIXQVLOFEJKE-UHFFFAOYSA-N
XLogP3.54
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.72
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane
CID 90121012
1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185871
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
triethoxy-[(2-methoxy-6-methylphenyl)methyl]silane
CID 59566744
triethoxy-[2-(2-methoxy-3,6-dimethylphenyl)ethyl]silane
CID 90121058
bis(2,3-dimethoxyphenyl)-diethoxysilane
CID 175436947
triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
CID 90121057
triethoxy-[(6-methoxy-2,3-dimethylphenyl)methyl]silane
CID 59566888
2-butyl-1,3-dimethoxybenzene
CID 524840
triethoxy-(2-fluorophenyl)silane
CID 139239787
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane?
The IUPAC name of triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane (CID 59566709) is triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane.
What is the SMILES notation for triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane?
The canonical SMILES for triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane is CCO[Si](CCc1c(OC)cccc1[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane?
The InChIKey is NHRIXQVLOFEJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O7Si2/c1-8-23-29(24-9-2,25-10-3)18-17-19-20(22-7)15-14-16-21(19)30(26-11-4,27-12-5)28-13-6/h14-16H,8-13,17-18H2,1-7H3.
What are the key properties of triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane?
triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane has a molecular weight of 460.72 g/mol, XLogP of 3.54, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane is sourced from PubChem (CID 59566709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).