triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane

C18H30O6Si — CID 164815717

IUPACtriethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane
SMILESCCO[Si](CCCOc1ccc2c(c1)COC(C)O2)(OCC)OCC
InChIInChI=1S/C18H30O6Si/c1-5-21-25(22-6-2,23-7-3)12-8-11-19-17-9-10-18-16(13-17)14-20-15(4)24-18/h9-10,13,15H,5-8,11-12,14H2,1-4H3
InChIKeyWMUVJCQYEZPSFY-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.76
Rot. Bonds11

About triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane

triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane (PubChem CID 164815717) has the molecular formula C18H30O6Si and a molecular weight of 370.52 g/mol. Its IUPAC name is triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane
PubChem CID164815717
Molecular FormulaC18H30O6Si
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Nametriethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane
SMILESCCO[Si](CCCOc1ccc2c(c1)COC(C)O2)(OCC)OCC
InChIInChI=1S/C18H30O6Si/c1-5-21-25(22-6-2,23-7-3)12-8-11-19-17-9-10-18-16(13-17)14-20-15(4)24-18/h9-10,13,15H,5-8,11-12,14H2,1-4H3
InChIKeyWMUVJCQYEZPSFY-UHFFFAOYSA-N
XLogP3.76
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

3-[(2,2-dicyclohexyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-triethoxysilane
CID 164816332
5-butoxy-3H-1,2-benzodioxole
CID 88819864
triethoxy-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propyl]silane
CID 123674102
4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
CID 137240522
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
3-[2-methyl-6-(2-triethoxysilylethoxy)-4H-1,3,2-benzodioxasilin-2-yl]propyl prop-2-enoate
CID 164816291
3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
CID 164816375
triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
CID 164816029
[3-(3-triethoxysilylpropoxy)phenyl] benzoate
CID 52911417
triethoxy(5-phenoxypentyl)silane
CID 69261827
[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467
3-[4-[4-[8-(3-triethoxysilylpropoxy)octoxy]phenyl]phenoxy]propane-1-thiol
CID 91319392

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane?
The IUPAC name of triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane (CID 164815717) is triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane.
What is the SMILES notation for triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane?
The canonical SMILES for triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane is CCO[Si](CCCOc1ccc2c(c1)COC(C)O2)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane?
The InChIKey is WMUVJCQYEZPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6Si/c1-5-21-25(22-6-2,23-7-3)12-8-11-19-17-9-10-18-16(13-17)14-20-15(4)24-18/h9-10,13,15H,5-8,11-12,14H2,1-4H3.
What are the key properties of triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane?
triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane has a molecular weight of 370.52 g/mol, XLogP of 3.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane is sourced from PubChem (CID 164815717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).