diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane

C19H42O2Si — CID 19076226

IUPACdiethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)C
InChIInChI=1S/C19H42O2Si/c1-11-20-22(16(3)4,21-12-2)14-17(5)13-19(9,10)15-18(6,7)8/h16-17H,11-15H2,1-10H3
InChIKeyBOILUHVNXWSWOY-UHFFFAOYSA-N
MW330.63 g/mol
LogP6.40
Rot. Bonds10

About diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane

diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane (PubChem CID 19076226) has the molecular formula C19H42O2Si and a molecular weight of 330.63 g/mol. Its IUPAC name is diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane.

Molecular Properties

Compound Namediethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
PubChem CID19076226
Molecular FormulaC19H42O2Si
Molecular Weight330.63 g/mol
Exact Mass330.30
IUPAC Namediethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)C
InChIInChI=1S/C19H42O2Si/c1-11-20-22(16(3)4,21-12-2)14-17(5)13-19(9,10)15-18(6,7)8/h16-17H,11-15H2,1-10H3
InChIKeyBOILUHVNXWSWOY-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 56.40
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-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The IUPAC name of diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane (CID 19076226) is diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane.
What is the SMILES notation for diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The canonical SMILES for diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane is CCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)C.
What is the InChIKey of diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
The InChIKey is BOILUHVNXWSWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O2Si/c1-11-20-22(16(3)4,21-12-2)14-17(5)13-19(9,10)15-18(6,7)8/h16-17H,11-15H2,1-10H3.
What are the key properties of diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane?
diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane has a molecular weight of 330.63 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2,4,4,6,6-pentamethylheptyl)-propan-2-ylsilane is sourced from PubChem (CID 19076226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).