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

C34H56O4Si — CID 153276935

IUPAC[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-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/C34H56O4Si/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/h16-17,20-21,27-30,32,35H,2,6-15,18-19,22-25H2,1,3-5H3
InChIKeyHMHMXHVQWXXFGL-UHFFFAOYSA-N
MW556.90 g/mol
LogP7.76
Rot. Bonds15

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

[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate (PubChem CID 153276935) has the molecular formula C34H56O4Si and a molecular weight of 556.90 g/mol. Its IUPAC name is [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
PubChem CID153276935
Molecular FormulaC34H56O4Si
Molecular Weight556.90 g/mol
Exact Mass556.39
IUPAC Name[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-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/C34H56O4Si/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/h16-17,20-21,27-30,32,35H,2,6-15,18-19,22-25H2,1,3-5H3
InChIKeyHMHMXHVQWXXFGL-UHFFFAOYSA-N
XLogP7.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.90
LogP ≤ 57.76
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]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate with MolForge

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Related Compounds

[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277148
[5-[4-[4-[4-[butyl(dimethyl)silyl]cyclohexyl]phenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277164
[5-[dimethyl-[4-(4-pentylphenyl)phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277106
[5-[4-[4-[butyl(dimethyl)silyl]-2,3-difluorophenyl]phenoxy]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 147692948
[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-[4-[butyl(dimethyl)silyl]phenyl]phenoxy]-2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxymethyl]pentyl] 2-methylprop-2-enoate
CID 153277134
[4-[4-(3-ethyl-4-pentylphenyl)cyclohexyl]-2-(hydroxymethyl)butyl] 2-methylprop-2-enoate
CID 145411758
[2-(hydroxymethyl)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]butyl] 2-methylidenebutanoate
CID 146659711
[2-(hydroxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]propyl] 2-methylprop-2-enoate
CID 139525265
[5-[[2,3-difluoro-4-(4-pentylphenyl)phenyl]-dimethylsilyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277038
[3-hydroxy-2-[4-(4-pentylcyclohexyl)phenyl]propyl] 2-methylprop-2-enoate
CID 134244724
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 142282850

Frequently Asked Questions

What is the IUPAC name of [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate (CID 153276935) is [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-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]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
The InChIKey is HMHMXHVQWXXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56O4Si/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/h16-17,20-21,27-30,32,35H,2,6-15,18-19,22-25H2,1,3-5H3.
What are the key properties of [5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate?
[5-[4-[4-[4-[butyl(dimethyl)silyl]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate has a molecular weight of 556.90 g/mol, XLogP of 7.76, 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]phenyl]cyclohexyl]cyclohexyl]oxy-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 153276935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).