2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol

C29H45FO2Si — CID 14274482

IUPAC2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol
SMILESCC(C)(C)c1cc([Si](C)(F)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C29H45FO2Si/c1-26(2,3)20-14-18(15-21(24(20)31)27(4,5)6)33(13,30)19-16-22(28(7,8)9)25(32)23(17-19)29(10,11)12/h14-17,31-32H,1-13H3
InChIKeySUNGSDPOECLYSP-UHFFFAOYSA-N
MW472.76 g/mol
LogP6.95
Rot. Bonds2

About 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol

2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol (PubChem CID 14274482) has the molecular formula C29H45FO2Si and a molecular weight of 472.76 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol
PubChem CID14274482
Molecular FormulaC29H45FO2Si
Molecular Weight472.76 g/mol
Exact Mass472.32
IUPAC Name2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol
SMILESCC(C)(C)c1cc([Si](C)(F)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C29H45FO2Si/c1-26(2,3)20-14-18(15-21(24(20)31)27(4,5)6)33(13,30)19-16-22(28(7,8)9)25(32)23(17-19)29(10,11)12/h14-17,31-32H,1-13H3
InChIKeySUNGSDPOECLYSP-UHFFFAOYSA-N
XLogP6.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol (CID 14274482) is 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol is CC(C)(C)c1cc([Si](C)(F)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol?
The InChIKey is SUNGSDPOECLYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45FO2Si/c1-26(2,3)20-14-18(15-21(24(20)31)27(4,5)6)33(13,30)19-16-22(28(7,8)9)25(32)23(17-19)29(10,11)12/h14-17,31-32H,1-13H3.
What are the key properties of 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol?
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol has a molecular weight of 472.76 g/mol, XLogP of 6.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol is sourced from PubChem (CID 14274482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).