2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane

C20H36O2Si — CID 140987625

IUPAC2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OCOCC[Si](C)(C)C
InChIInChI=1S/C20H36O2Si/c1-19(2,3)16-11-10-12-17(20(4,5)6)18(16)22-15-21-13-14-23(7,8)9/h10-12H,13-15H2,1-9H3
InChIKeyQWBXIIAQOQHYJA-UHFFFAOYSA-N
MW336.59 g/mol
LogP5.97
Rot. Bonds6

About 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane

2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane (PubChem CID 140987625) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane
PubChem CID140987625
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1OCOCC[Si](C)(C)C
InChIInChI=1S/C20H36O2Si/c1-19(2,3)16-11-10-12-17(20(4,5)6)18(16)22-15-21-13-14-23(7,8)9/h10-12H,13-15H2,1-9H3
InChIKeyQWBXIIAQOQHYJA-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane (CID 140987625) is 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane is CC(C)(C)c1cccc(C(C)(C)C)c1OCOCC[Si](C)(C)C.
What is the InChIKey of 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane?
The InChIKey is QWBXIIAQOQHYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-19(2,3)16-11-10-12-17(20(4,5)6)18(16)22-15-21-13-14-23(7,8)9/h10-12H,13-15H2,1-9H3.
What are the key properties of 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane?
2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane has a molecular weight of 336.59 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-ditert-butylphenoxy)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140987625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).