2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol

C28H44O4Si — CID 91539613

IUPAC2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol
SMILESCOCCOCCc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C28H44O4Si/c1-27(2,3)24-18-22(19-25(26(24)29)28(4,5)6)32-20-33(8,9)23-12-10-21(11-13-23)14-15-31-17-16-30-7/h10-13,18-19,29H,14-17,20H2,1-9H3
InChIKeySAORETPJCUCPJK-UHFFFAOYSA-N
MW472.74 g/mol
LogP5.73
Rot. Bonds10

About 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol

2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol (PubChem CID 91539613) has the molecular formula C28H44O4Si and a molecular weight of 472.74 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol
PubChem CID91539613
Molecular FormulaC28H44O4Si
Molecular Weight472.74 g/mol
Exact Mass472.30
IUPAC Name2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol
SMILESCOCCOCCc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1
InChIInChI=1S/C28H44O4Si/c1-27(2,3)24-18-22(19-25(26(24)29)28(4,5)6)32-20-33(8,9)23-12-10-21(11-13-23)14-15-31-17-16-30-7/h10-13,18-19,29H,14-17,20H2,1-9H3
InChIKeySAORETPJCUCPJK-UHFFFAOYSA-N
XLogP5.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.74
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-2-(2-methoxyethoxy)propanamide
CID 91211041
N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide
CID 143041020
2,6-ditert-butyl-4-[[methyl(diphenyl)silyl]methoxy]phenol
CID 11475991
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 129256624
[2,6-ditert-butyl-4-[[dimethyl-[4-(trifluoromethyl)phenyl]silyl]methoxy]phenyl] acetate
CID 67706895
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
2,6-ditert-butyl-4-ethoxyphenol;ethane
CID 143041042
2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[2-[4-(dimethylamino)phenyl]ethoxy]phenyl]sulfanylpropan-2-ylsulfanyl]phenol
CID 91339144
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
acetic acid;4-[2-[(4-aminophenyl)-dimethylsilyl]ethyl]-2,6-ditert-butylphenol
CID 162328467
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2,6-ditert-butyl-4-decoxyphenol
CID 18417198

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol (CID 91539613) is 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol is COCCOCCc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1.
What is the InChIKey of 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol?
The InChIKey is SAORETPJCUCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O4Si/c1-27(2,3)24-18-22(19-25(26(24)29)28(4,5)6)32-20-33(8,9)23-12-10-21(11-13-23)14-15-31-17-16-30-7/h10-13,18-19,29H,14-17,20H2,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol?
2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol has a molecular weight of 472.74 g/mol, XLogP of 5.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[[4-[2-(2-methoxyethoxy)ethyl]phenyl]-dimethylsilyl]methoxy]phenol is sourced from PubChem (CID 91539613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).