tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

C20H44O2Si — CID 19076222

IUPACtert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-12-21-23(22-13-2,19(7,8)9)15-17(3)14-20(10,11)16-18(4,5)6/h17H,12-16H2,1-11H3
InChIKeyUNJVOZAVDHBTOE-UHFFFAOYSA-N
MW344.66 g/mol
LogP6.79
Rot. Bonds9

About tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane

tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (PubChem CID 19076222) has the molecular formula C20H44O2Si and a molecular weight of 344.66 g/mol. Its IUPAC name is tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.

Molecular Properties

Compound Nametert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
PubChem CID19076222
Molecular FormulaC20H44O2Si
Molecular Weight344.66 g/mol
Exact Mass344.31
IUPAC Nametert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane
SMILESCCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)(C)C
InChIInChI=1S/C20H44O2Si/c1-12-21-23(22-13-2,19(7,8)9)15-17(3)14-20(10,11)16-18(4,5)6/h17H,12-16H2,1-11H3
InChIKeyUNJVOZAVDHBTOE-UHFFFAOYSA-N
XLogP6.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.66
LogP ≤ 56.79
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 tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The IUPAC name of tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane (CID 19076222) is tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane.
What is the SMILES notation for tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The canonical SMILES for tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is CCO[Si](CC(C)CC(C)(C)CC(C)(C)C)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
The InChIKey is UNJVOZAVDHBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O2Si/c1-12-21-23(22-13-2,19(7,8)9)15-17(3)14-20(10,11)16-18(4,5)6/h17H,12-16H2,1-11H3.
What are the key properties of tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane?
tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane has a molecular weight of 344.66 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diethoxy-(2,4,4,6,6-pentamethylheptyl)silane is sourced from PubChem (CID 19076222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).