diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane

C20H34O4Si — CID 164816172

IUPACdiethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
SMILESCCCCCCC1(C)OCc2cc([Si](C)(OCC)OCC)ccc2O1
InChIInChI=1S/C20H34O4Si/c1-6-9-10-11-14-20(4)21-16-17-15-18(12-13-19(17)24-20)25(5,22-7-2)23-8-3/h12-13,15H,6-11,14,16H2,1-5H3
InChIKeyJXNUOJSTQNZAJK-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.63
Rot. Bonds10

About diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane

diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane (PubChem CID 164816172) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane.

Molecular Properties

Compound Namediethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
PubChem CID164816172
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Namediethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane
SMILESCCCCCCC1(C)OCc2cc([Si](C)(OCC)OCC)ccc2O1
InChIInChI=1S/C20H34O4Si/c1-6-9-10-11-14-20(4)21-16-17-15-18(12-13-19(17)24-20)25(5,22-7-2)23-8-3/h12-13,15H,6-11,14,16H2,1-5H3
InChIKeyJXNUOJSTQNZAJK-UHFFFAOYSA-N
XLogP4.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane?
The IUPAC name of diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane (CID 164816172) is diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane.
What is the SMILES notation for diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane?
The canonical SMILES for diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane is CCCCCCC1(C)OCc2cc([Si](C)(OCC)OCC)ccc2O1.
What is the InChIKey of diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane?
The InChIKey is JXNUOJSTQNZAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-6-9-10-11-14-20(4)21-16-17-15-18(12-13-19(17)24-20)25(5,22-7-2)23-8-3/h12-13,15H,6-11,14,16H2,1-5H3.
What are the key properties of diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane?
diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane has a molecular weight of 366.57 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-hexyl-2-methyl-4H-1,3-benzodioxin-6-yl)-methylsilane is sourced from PubChem (CID 164816172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).