4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol

C32H52O4Si — CID 19103298

IUPAC4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(OC[Si](C)(C)COc2cc(CC(C)C)c(O)c(CC(C)C)c2)cc(CC(C)C)c1O
InChIInChI=1S/C32H52O4Si/c1-21(2)11-25-15-29(16-26(31(25)33)12-22(3)4)35-19-37(9,10)20-36-30-17-27(13-23(5)6)32(34)28(18-30)14-24(7)8/h15-18,21-24,33-34H,11-14,19-20H2,1-10H3
InChIKeyZOKPMFSGMSEJMY-UHFFFAOYSA-N
MW528.85 g/mol
LogP8.14
Rot. Bonds14

About 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol

4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol (PubChem CID 19103298) has the molecular formula C32H52O4Si and a molecular weight of 528.85 g/mol. Its IUPAC name is 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol
PubChem CID19103298
Molecular FormulaC32H52O4Si
Molecular Weight528.85 g/mol
Exact Mass528.36
IUPAC Name4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(OC[Si](C)(C)COc2cc(CC(C)C)c(O)c(CC(C)C)c2)cc(CC(C)C)c1O
InChIInChI=1S/C32H52O4Si/c1-21(2)11-25-15-29(16-26(31(25)33)12-22(3)4)35-19-37(9,10)20-36-30-17-27(13-23(5)6)32(34)28(18-30)14-24(7)8/h15-18,21-24,33-34H,11-14,19-20H2,1-10H3
InChIKeyZOKPMFSGMSEJMY-UHFFFAOYSA-N
XLogP8.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.85
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3,5-bis[[4-hydroxy-3,5-bis(2-methylpropyl)phenyl]methyl]-2,4,6-trimethylphenyl]methyl]-2,6-bis(2-methylpropyl)phenol
CID 118513751
4-(diethoxyphosphorylmethyl)-2,6-bis(2-methylpropyl)phenol
CID 58559829
2,6-bis(2-methylpropyl)-4-nonylphenol
CID 126622784
2,2,3,3-tetrakis[4-hydroxy-3,5-bis(2-methylpropyl)phenyl]propanoic acid
CID 134367274
2-methyl-4-(2-methylpropyl)furan-3-ol
CID 91409821
methyl 3-[3-ethyl-4-hydroxy-5-(2-methylpropyl)phenyl]propanoate
CID 160571031
[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 140774572
2-amino-4-[[3-amino-4-hydroxy-2-methyl-5-(2-methylpropyl)phenyl]methyl]-3-methyl-6-(2-methylpropyl)phenol
CID 59194624
2-cyclopentyl-4-methyl-6-(2-methylpropyl)phenol
CID 3022613
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
CID 163490839
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol?
The IUPAC name of 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol (CID 19103298) is 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol.
What is the SMILES notation for 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol?
The canonical SMILES for 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol is CC(C)Cc1cc(OC[Si](C)(C)COc2cc(CC(C)C)c(O)c(CC(C)C)c2)cc(CC(C)C)c1O.
What is the InChIKey of 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol?
The InChIKey is ZOKPMFSGMSEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52O4Si/c1-21(2)11-25-15-29(16-26(31(25)33)12-22(3)4)35-19-37(9,10)20-36-30-17-27(13-23(5)6)32(34)28(18-30)14-24(7)8/h15-18,21-24,33-34H,11-14,19-20H2,1-10H3.
What are the key properties of 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol?
4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol has a molecular weight of 528.85 g/mol, XLogP of 8.14, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-hydroxy-3,5-bis(2-methylpropyl)phenoxy]methyl-dimethylsilyl]methoxy]-2,6-bis(2-methylpropyl)phenol is sourced from PubChem (CID 19103298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).