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

C21H36O6Si — CID 164816029

IUPACtriethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
SMILESCCCC(C)C1(C)OCc2cc(OC[Si](OCC)(OCC)OCC)ccc2O1
InChIInChI=1S/C21H36O6Si/c1-7-11-17(5)21(6)23-15-18-14-19(12-13-20(18)27-21)22-16-28(24-8-2,25-9-3)26-10-4/h12-14,17H,7-11,15-16H2,1-6H3
InChIKeyKHGDXKHUSJSOOG-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.71
Rot. Bonds12

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

triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane (PubChem CID 164816029) has the molecular formula C21H36O6Si and a molecular weight of 412.60 g/mol. Its IUPAC name is triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane.

Molecular Properties

Compound Nametriethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
PubChem CID164816029
Molecular FormulaC21H36O6Si
Molecular Weight412.60 g/mol
Exact Mass412.23
IUPAC Nametriethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane
SMILESCCCC(C)C1(C)OCc2cc(OC[Si](OCC)(OCC)OCC)ccc2O1
InChIInChI=1S/C21H36O6Si/c1-7-11-17(5)21(6)23-15-18-14-19(12-13-20(18)27-21)22-16-28(24-8-2,25-9-3)26-10-4/h12-14,17H,7-11,15-16H2,1-6H3
InChIKeyKHGDXKHUSJSOOG-UHFFFAOYSA-N
XLogP4.71
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816392
[diacetyloxy-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;[diacetyloxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silyl] acetate;(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl-triethoxysilane;(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl-trimethoxysilane;trichloro-[(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;trichloro-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-ethyl-2-methyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;triethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane;bis(trimethoxy-[(2-methyl-2-propyl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane)
CID 165056852
CID 164958879
CID 164958879
3-[(2,2-dicyclohexyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-triethoxysilane
CID 164816332
dimethoxy-methyl-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silane
CID 164816398
[diacetyloxy-(2-methyl-2-propan-2-yl-4H-1,3-benzodioxin-6-yl)silyl] acetate
CID 164815890
triethoxy-[3-[(2-methyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silane
CID 164815717
4H-1,3,2-benzodioxasilin-6-yloxymethyl(trimethoxy)silane
CID 164816006
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
CID 164816172
[diacetyloxy-[(2-methyl-4H-1,3,2-benzodioxasilin-6-yl)oxymethyl]silyl] acetate
CID 164816253
3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
CID 164816375
[diacetyloxy-[3-[(2-methyl-2-phenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl]silyl] acetate
CID 164816467

Frequently Asked Questions

What is the IUPAC name of triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane?
The IUPAC name of triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane (CID 164816029) is triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane.
What is the SMILES notation for triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane?
The canonical SMILES for triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane is CCCC(C)C1(C)OCc2cc(OC[Si](OCC)(OCC)OCC)ccc2O1.
What is the InChIKey of triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane?
The InChIKey is KHGDXKHUSJSOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O6Si/c1-7-11-17(5)21(6)23-15-18-14-19(12-13-20(18)27-21)22-16-28(24-8-2,25-9-3)26-10-4/h12-14,17H,7-11,15-16H2,1-6H3.
What are the key properties of triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane?
triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane has a molecular weight of 412.60 g/mol, XLogP of 4.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(2-methyl-2-pentan-2-yl-4H-1,3-benzodioxin-6-yl)oxymethyl]silane is sourced from PubChem (CID 164816029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).