2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol

C19H34O2Si — CID 14974322

IUPAC2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
SMILESCC(C)[Si](Oc1ccc(O)c(C(C)(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)21-16-10-11-18(20)17(12-16)19(7,8)9/h10-15,20H,1-9H3
InChIKeyLVAOLVDQWSWWGZ-UHFFFAOYSA-N
MW322.57 g/mol
LogP6.24
Rot. Bonds5

About 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol

2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol (PubChem CID 14974322) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol.

Molecular Properties

Compound Name2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
PubChem CID14974322
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
SMILESCC(C)[Si](Oc1ccc(O)c(C(C)(C)C)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)21-16-10-11-18(20)17(12-16)19(7,8)9/h10-15,20H,1-9H3
InChIKeyLVAOLVDQWSWWGZ-UHFFFAOYSA-N
XLogP6.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 56.24
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

2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2-tert-butyl-4-propan-2-ylphenol
CID 24240
(3,4-dimethylphenoxy)-tri(propan-2-yl)silane
CID 10356220
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 175040177
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
CID 54454280
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-(2-fluoro-5-methoxyphenyl)-5-tri(propan-2-yl)silyloxyphenol
CID 131736006
naphthalen-2-yloxy-tri(propan-2-yl)silane
CID 11066546
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
CID 163490839

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol?
The IUPAC name of 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol (CID 14974322) is 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol.
What is the SMILES notation for 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol?
The canonical SMILES for 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol is CC(C)[Si](Oc1ccc(O)c(C(C)(C)C)c1)(C(C)C)C(C)C.
What is the InChIKey of 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol?
The InChIKey is LVAOLVDQWSWWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-13(2)22(14(3)4,15(5)6)21-16-10-11-18(20)17(12-16)19(7,8)9/h10-15,20H,1-9H3.
What are the key properties of 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol?
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol has a molecular weight of 322.57 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol is sourced from PubChem (CID 14974322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).