[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate

C34H50O4Si — CID 153277164

IUPAC[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)CCCOc1ccc(-c2ccc(C3CCC([Si](C)(C)CCCC)CC3)cc2)cc1
InChIInChI=1S/C34H50O4Si/c1-6-7-23-39(4,5)33-20-16-31(17-21-33)29-12-10-28(11-13-29)30-14-18-32(19-15-30)37-22-8-9-27(24-35)25-38-34(36)26(2)3/h10-15,18-19,27,31,33,35H,2,6-9,16-17,20-25H2,1,3-5H3
InChIKeyHHUXBTQDVKEPLA-UHFFFAOYSA-N
MW550.86 g/mol
LogP8.78
Rot. Bonds15

About [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate

[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate (PubChem CID 153277164) has the molecular formula C34H50O4Si and a molecular weight of 550.86 g/mol. Its IUPAC name is [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
PubChem CID153277164
Molecular FormulaC34H50O4Si
Molecular Weight550.86 g/mol
Exact Mass550.35
IUPAC Name[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CO)CCCOc1ccc(-c2ccc(C3CCC([Si](C)(C)CCCC)CC3)cc2)cc1
InChIInChI=1S/C34H50O4Si/c1-6-7-23-39(4,5)33-20-16-31(17-21-33)29-12-10-28(11-13-29)30-14-18-32(19-15-30)37-22-8-9-27(24-35)25-38-34(36)26(2)3/h10-15,18-19,27,31,33,35H,2,6-9,16-17,20-25H2,1,3-5H3
InChIKeyHHUXBTQDVKEPLA-UHFFFAOYSA-N
XLogP8.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.86
LogP ≤ 58.78
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153276935
[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277148
[5-[4-[4-[butyl(dimethyl)silyl]-2,3-difluorophenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 147692948
[5-[4-[4-[butyl(dimethyl)silyl]phenyl]phenoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]pentyl] 2-methylprop-2-enoate
CID 153277134
[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]-2,3-difluorophenyl]-2-hydroxyphenyl]methyl 2-methylprop-2-enoate
CID 153277144
[2-(2-methylprop-2-enoyloxymethyl)-3-[4-(4-pentylcyclohexyl)phenoxy]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138529515
[2-[[5-hydroxy-4-(hydroxymethyl)pentyl]-dimethylsilyl]-3-(2-methylprop-2-enoyloxymethyl)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 153276925
[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 153277075
[2-(hydroxymethyl)-3-[5-[4-(4-pentylphenyl)phenyl]oxan-2-yl]propyl] 2-methylprop-2-enoate
CID 134246772
[5-[dimethyl-[4-(4-pentylphenyl)phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277106
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
[3-hydroxy-2-[4-(4-pentylcyclohexyl)phenyl]propyl] 2-methylprop-2-enoate
CID 134244724

Frequently Asked Questions

What is the IUPAC name of [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate (CID 153277164) is [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CO)CCCOc1ccc(-c2ccc(C3CCC([Si](C)(C)CCCC)CC3)cc2)cc1.
What is the InChIKey of [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The InChIKey is HHUXBTQDVKEPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O4Si/c1-6-7-23-39(4,5)33-20-16-31(17-21-33)29-12-10-28(11-13-29)30-14-18-32(19-15-30)37-22-8-9-27(24-35)25-38-34(36)26(2)3/h10-15,18-19,27,31,33,35H,2,6-9,16-17,20-25H2,1,3-5H3.
What are the key properties of [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate has a molecular weight of 550.86 g/mol, XLogP of 8.78, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 153277164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).