diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane

C20H44O2Si — CID 19076223

IUPACdiethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)C)(CC(C)CC(C)(C)CC(C)(C)C)OCC
InChIInChI=1S/C20H44O2Si/c1-11-21-23(22-12-2,14-17(3)4)15-18(5)13-20(9,10)16-19(6,7)8/h17-18H,11-16H2,1-10H3
InChIKeyMDEGISOCLYCLIE-UHFFFAOYSA-N
MW344.66 g/mol
LogP6.65
Rot. Bonds11

About diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane

diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 19076223) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Namediethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID19076223
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Namediethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)C)(CC(C)CC(C)(C)CC(C)(C)C)OCC
InChIInChI=1S/C20H44O2Si/c1-11-21-23(22-12-2,14-17(3)4)15-18(5)13-20(9,10)16-19(6,7)8/h17-18H,11-16H2,1-10H3
InChIKeyMDEGISOCLYCLIE-UHFFFAOYSA-N
XLogP6.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane (CID 19076223) is diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane is CCO[Si](CC(C)C)(CC(C)CC(C)(C)CC(C)(C)C)OCC.
What is the InChIKey of diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is MDEGISOCLYCLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-11-21-23(22-12-2,14-17(3)4)15-18(5)13-20(9,10)16-19(6,7)8/h17-18H,11-16H2,1-10H3.
What are the key properties of diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane?
diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 344.66 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-methylpropyl)-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 19076223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).