diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane

C18H30O4Si — CID 164816366

IUPACdiethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCCCCC1(C)OCc2cc([SiH](OCC)OCC)ccc2O1
InChIInChI=1S/C18H30O4Si/c1-5-8-9-12-18(4)19-14-15-13-16(10-11-17(15)22-18)23(20-6-2)21-7-3/h10-11,13,23H,5-9,12,14H2,1-4H3
InChIKeyUBHMAWHMEYWOTB-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.39
Rot. Bonds9

About diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane

diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane (PubChem CID 164816366) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane.

Molecular Properties

Compound Namediethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
PubChem CID164816366
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Namediethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane
SMILESCCCCCC1(C)OCc2cc([SiH](OCC)OCC)ccc2O1
InChIInChI=1S/C18H30O4Si/c1-5-8-9-12-18(4)19-14-15-13-16(10-11-17(15)22-18)23(20-6-2)21-7-3/h10-11,13,23H,5-9,12,14H2,1-4H3
InChIKeyUBHMAWHMEYWOTB-UHFFFAOYSA-N
XLogP3.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.39
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-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
The IUPAC name of diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane (CID 164816366) is diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane.
What is the SMILES notation for diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
The canonical SMILES for diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane is CCCCCC1(C)OCc2cc([SiH](OCC)OCC)ccc2O1.
What is the InChIKey of diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
The InChIKey is UBHMAWHMEYWOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-5-8-9-12-18(4)19-14-15-13-16(10-11-17(15)22-18)23(20-6-2)21-7-3/h10-11,13,23H,5-9,12,14H2,1-4H3.
What are the key properties of diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane?
diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane has a molecular weight of 338.52 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-methyl-2-pentyl-4H-1,3-benzodioxin-6-yl)silane is sourced from PubChem (CID 164816366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).