2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol

C18H32O2Si — CID 18406218

IUPAC2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol
SMILESCC(C)(C)c1cc(CO[Si](C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H32O2Si/c1-17(2,3)14-10-13(12-20-21(7,8)9)11-15(16(14)19)18(4,5)6/h10-11,19H,12H2,1-9H3
InChIKeyIZNJOLBYWBFODQ-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.34
Rot. Bonds3

About 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol

2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol (PubChem CID 18406218) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol
PubChem CID18406218
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol
SMILESCC(C)(C)c1cc(CO[Si](C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H32O2Si/c1-17(2,3)14-10-13(12-20-21(7,8)9)11-15(16(14)19)18(4,5)6/h10-11,19H,12H2,1-9H3
InChIKeyIZNJOLBYWBFODQ-UHFFFAOYSA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphite;phosphorous acid
CID 159405265
O-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ethanethioate
CID 87143193
bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] propanedioate
CID 54266161
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 3-oxobutanoate
CID 154392115
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-ethoxy-oxophosphanium;nickel
CID 158653418
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2-tert-butyl-4-(ethoxymethyl)-6-methylphenol
CID 14982148
(3,5-ditert-butyl-4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 59265270
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl 4-hydroxybenzoate);ethane
CID 158813585

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol (CID 18406218) is 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol is CC(C)(C)c1cc(CO[Si](C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol?
The InChIKey is IZNJOLBYWBFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-17(2,3)14-10-13(12-20-21(7,8)9)11-15(16(14)19)18(4,5)6/h10-11,19H,12H2,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol?
2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol has a molecular weight of 308.54 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(trimethylsilyloxymethyl)phenol is sourced from PubChem (CID 18406218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).