4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol

C22H42O4Si2 — CID 10550387

IUPAC4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol
SMILESCOc1cc(C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc1O
InChIInChI=1S/C22H42O4Si2/c1-21(2,3)27(8,9)25-15-14-19(26-28(10,11)22(4,5)6)17-12-13-18(23)20(16-17)24-7/h12-13,16,19,23H,14-15H2,1-11H3
InChIKeyPJTZGFRTOXLEOG-UHFFFAOYSA-N
MW426.75 g/mol
LogP6.88
Rot. Bonds8

About 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol

4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol (PubChem CID 10550387) has the molecular formula C22H42O4Si2 and a molecular weight of 426.75 g/mol. Its IUPAC name is 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol
PubChem CID10550387
Molecular FormulaC22H42O4Si2
Molecular Weight426.75 g/mol
Exact Mass426.26
IUPAC Name4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol
SMILESCOc1cc(C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc1O
InChIInChI=1S/C22H42O4Si2/c1-21(2,3)27(8,9)25-15-14-19(26-28(10,11)22(4,5)6)17-12-13-18(23)20(16-17)24-7/h12-13,16,19,23H,14-15H2,1-11H3
InChIKeyPJTZGFRTOXLEOG-UHFFFAOYSA-N
XLogP6.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol?
The IUPAC name of 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol (CID 10550387) is 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol?
The canonical SMILES for 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol is COc1cc(C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc1O.
What is the InChIKey of 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol?
The InChIKey is PJTZGFRTOXLEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O4Si2/c1-21(2,3)27(8,9)25-15-14-19(26-28(10,11)22(4,5)6)17-12-13-18(23)20(16-17)24-7/h12-13,16,19,23H,14-15H2,1-11H3.
What are the key properties of 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol?
4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol has a molecular weight of 426.75 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-methoxyphenol is sourced from PubChem (CID 10550387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).