[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate

C28H42O5Si — CID 153277075

IUPAC[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(C2CCC([Si](C)(C)CCCC)CC2)cc(COC(=O)C(=C)C)c1O
InChIInChI=1S/C28H42O5Si/c1-8-9-14-34(6,7)25-12-10-21(11-13-25)22-15-23(17-32-27(30)19(2)3)26(29)24(16-22)18-33-28(31)20(4)5/h15-16,21,25,29H,2,4,8-14,17-18H2,1,3,5-7H3
InChIKeyITUSLQJGFJYLGI-UHFFFAOYSA-N
MW486.73 g/mol
LogP7.17
Rot. Bonds11

About [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate

[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 153277075) has the molecular formula C28H42O5Si and a molecular weight of 486.73 g/mol. Its IUPAC name is [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID153277075
Molecular FormulaC28H42O5Si
Molecular Weight486.73 g/mol
Exact Mass486.28
IUPAC Name[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(C2CCC([Si](C)(C)CCCC)CC2)cc(COC(=O)C(=C)C)c1O
InChIInChI=1S/C28H42O5Si/c1-8-9-14-34(6,7)25-12-10-21(11-13-25)22-15-23(17-32-27(30)19(2)3)26(29)24(16-22)18-33-28(31)20(4)5/h15-16,21,25,29H,2,4,8-14,17-18H2,1,3,5-7H3
InChIKeyITUSLQJGFJYLGI-UHFFFAOYSA-N
XLogP7.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.73
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]-2,3-difluorophenyl]-2-hydroxyphenyl]methyl 2-methylprop-2-enoate
CID 153277144
[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277164
[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]phenyl]-2,3-difluorophenyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 149270419
[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 147052954
[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
3-[4-(4-cyclohexylcyclohexyl)-2-(2-methylprop-2-enoyloxymethyl)phenyl]propanoic acid
CID 134200855
3-[5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(3-tributoxysilylpropyl)phenyl]propyl 2-methylprop-2-enoate
CID 140837913
[5-[4-[4-[butyl(dimethyl)silyl]phenyl]phenyl]-2-[(2,6-dioxooxan-4-yl)methoxy]-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 153277017
[2-(4-cyclohexyl-2-ethylphenyl)-5-(3-hydroxypropyl)phenyl]methyl 2-methylprop-2-enoate
CID 134200902
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
3-[5-[4-(4-butylcyclohexyl)-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate
CID 135139286
3-[2-(2-hydroxyethoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193424

Frequently Asked Questions

What is the IUPAC name of [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate (CID 153277075) is [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(C2CCC([Si](C)(C)CCCC)CC2)cc(COC(=O)C(=C)C)c1O.
What is the InChIKey of [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is ITUSLQJGFJYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O5Si/c1-8-9-14-34(6,7)25-12-10-21(11-13-25)22-15-23(17-32-27(30)19(2)3)26(29)24(16-22)18-33-28(31)20(4)5/h15-16,21,25,29H,2,4,8-14,17-18H2,1,3,5-7H3.
What are the key properties of [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate?
[5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 486.73 g/mol, XLogP of 7.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[butyl(dimethyl)silyl]cyclohexyl]-2-hydroxy-3-(2-methylprop-2-enoyloxymethyl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 153277075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).