4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol

C30H48O4Si — CID 19088137

IUPAC4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol
SMILESCCCC[Si](CCCC)(COc1cc(CC)c(O)c(CC)c1)COc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C30H48O4Si/c1-7-13-15-35(16-14-8-2,21-33-27-17-23(9-3)29(31)24(10-4)18-27)22-34-28-19-25(11-5)30(32)26(12-6)20-28/h17-20,31-32H,7-16,21-22H2,1-6H3
InChIKeyKEUCWGIKIOZGTR-UHFFFAOYSA-N
MW500.80 g/mol
LogP7.93
Rot. Bonds16

About 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol

4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol (PubChem CID 19088137) has the molecular formula C30H48O4Si and a molecular weight of 500.80 g/mol. Its IUPAC name is 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol.

Molecular Properties

Compound Name4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol
PubChem CID19088137
Molecular FormulaC30H48O4Si
Molecular Weight500.80 g/mol
Exact Mass500.33
IUPAC Name4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol
SMILESCCCC[Si](CCCC)(COc1cc(CC)c(O)c(CC)c1)COc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C30H48O4Si/c1-7-13-15-35(16-14-8-2,21-33-27-17-23(9-3)29(31)24(10-4)18-27)22-34-28-19-25(11-5)30(32)26(12-6)20-28/h17-20,31-32H,7-16,21-22H2,1-6H3
InChIKeyKEUCWGIKIOZGTR-UHFFFAOYSA-N
XLogP7.93
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.80
LogP ≤ 57.93
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-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol
CID 175396015
2,6-diethyl-4-pentylphenol
CID 66879488
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2,6-diethyl-4-(2-methylheptan-2-yl)phenol
CID 91497422
(3,5-diethyl-4-hydroxyphenyl) 2-methylprop-2-enoate
CID 155661971
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
4-butoxy-2-ethylbenzaldehyde
CID 89039391
1,3,5-tributoxybenzene
CID 15933337
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
2,6-di(undecyl)benzene-1,4-diol
CID 139946395

Frequently Asked Questions

What is the IUPAC name of 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol?
The IUPAC name of 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol (CID 19088137) is 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol.
What is the SMILES notation for 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol?
The canonical SMILES for 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol is CCCC[Si](CCCC)(COc1cc(CC)c(O)c(CC)c1)COc1cc(CC)c(O)c(CC)c1.
What is the InChIKey of 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol?
The InChIKey is KEUCWGIKIOZGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O4Si/c1-7-13-15-35(16-14-8-2,21-33-27-17-23(9-3)29(31)24(10-4)18-27)22-34-28-19-25(11-5)30(32)26(12-6)20-28/h17-20,31-32H,7-16,21-22H2,1-6H3.
What are the key properties of 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol?
4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol has a molecular weight of 500.80 g/mol, XLogP of 7.93, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol is sourced from PubChem (CID 19088137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).