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'}

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Related Compounds

trimethyl-[2-[[2-(trifluoromethyl)phenoxy]methoxy]ethyl]silane
CID 177342967
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
2-[[3-(chloromethyl)phenoxy]methoxy]ethyl-trimethylsilane
CID 22127918
2-[[8-(chloromethyl)naphthalen-1-yl]oxymethoxy]ethyl-trimethylsilane
CID 151839763
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
N-(4-chlorophenyl)-6-(2-trimethylsilylethoxymethoxy)pyridin-2-amine
CID 141340384
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077
2-[2-(2-bromophenoxy)ethoxymethoxy]ethyl-trimethylsilane
CID 171066438
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
7-(2-trimethylsilylethoxymethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 142676475
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
CID 10420808

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).