1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate

C158H236O18Si — CID 158906861

IUPAC1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
SMILESCCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)=O)cc1.CCC(C)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.CCC(C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/2C19H30O2.C16H24O3.C15H22O3.C14H22.C13H22OSi.C12H16O2.5C10H14O/c2*1-4-15(2)18-10-12-19(13-11-18)21-16(3)20-14-17-8-6-5-7-9-17;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-6-11(2)12-7-9-13(10-8-12)17-14(16)18-15(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14-15(3,4)5;1-4-9(2)11-5-7-12(8-6-11)14-10(3)13;5*1-3-8(2)9-4-6-10(11)7-5-9/h2*10-13,15-17H,4-9,14H2,1-3H3;7-10,12H,6,11H2,1-5H3;7-11H,6H2,1-5H3;7-11H,6H2,1-5H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3
InChIKeyJGDOGSSBJVTVPW-UHFFFAOYSA-N
MW2451.69 g/mol
LogP46.04
Rot. Bonds41

About 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate

1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate (PubChem CID 158906861) has the molecular formula C158H236O18Si and a molecular weight of 2451.69 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
PubChem CID158906861
Molecular FormulaC158H236O18Si
Molecular Weight2451.69 g/mol
Exact Mass2449.73
IUPAC Name1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
SMILESCCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)=O)cc1.CCC(C)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.CCC(C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/2C19H30O2.C16H24O3.C15H22O3.C14H22.C13H22OSi.C12H16O2.5C10H14O/c2*1-4-15(2)18-10-12-19(13-11-18)21-16(3)20-14-17-8-6-5-7-9-17;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-6-11(2)12-7-9-13(10-8-12)17-14(16)18-15(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14-15(3,4)5;1-4-9(2)11-5-7-12(8-6-11)14-10(3)13;5*1-3-8(2)9-4-6-10(11)7-5-9/h2*10-13,15-17H,4-9,14H2,1-3H3;7-10,12H,6,11H2,1-5H3;7-11H,6H2,1-5H3;7-11H,6H2,1-5H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3
InChIKeyJGDOGSSBJVTVPW-UHFFFAOYSA-N
XLogP46.04
TPSA244.66 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002451.69
LogP ≤ 546.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
tert-butyl [4-[6-[4-(1-cyclohexyloxyethoxy)phenyl]-2-(4-hydroxyphenyl)octan-4-yl]phenyl] carbonate
CID 54370516
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexylsulfanylethoxy)ethoxy]benzene;tris(4-butan-2-ylphenol);bis((4-butan-2-ylphenyl) acetate);1-butan-2-yl-4-(1-phenylmethoxyethoxy)benzene
CID 158900602
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;tris(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-methoxymethanol;tert-butyl 2-methylbutanoate
CID 161095237
tert-butyl 2-ethyl-8-(4-hydroxyphenyl)-6-[4-[1-[[4-[1-[4-[2-(4-hydroxyphenyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyldecan-4-yl]phenoxy]ethoxymethyl]cyclohexyl]methoxy]ethoxy]phenyl]-4-phenylnonanoate
CID 59872852
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
2-cyclohexylpropan-2-yl 2-[4-[6-(4-hydroxyphenyl)octan-2-yl]phenoxy]acetate
CID 126747371
4-[4-(4-tert-butylphenyl)-8-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]-6-(4-propan-2-yloxyphenyl)decan-2-yl]phenol
CID 20758424
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-tert-butylcyclohexane-1-carboxylate
CID 18724486
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
(4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium
CID 160736418
tert-butyl 6-(4-tert-butylphenyl)-2-[4-[4-(1-cyclohexyloxyethoxy)phenyl]pentyl]octanoate
CID 129292491

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
The IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate (CID 158906861) is 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate.
What is the SMILES notation for 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
The canonical SMILES for 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate is CCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(=O)OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)=O)cc1.CCC(C)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OCC2CCCCC2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.CCC(C)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
The InChIKey is JGDOGSSBJVTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H30O2.C16H24O3.C15H22O3.C14H22.C13H22OSi.C12H16O2.5C10H14O/c2*1-4-15(2)18-10-12-19(13-11-18)21-16(3)20-14-17-8-6-5-7-9-17;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-6-11(2)12-7-9-13(10-8-12)17-14(16)18-15(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14-15(3,4)5;1-4-9(2)11-5-7-12(8-6-11)14-10(3)13;5*1-3-8(2)9-4-6-10(11)7-5-9/h2*10-13,15-17H,4-9,14H2,1-3H3;7-10,12H,6,11H2,1-5H3;7-11H,6H2,1-5H3;7-11H,6H2,1-5H3;7-11H,6H2,1-5H3;5-9H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate?
1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate has a molecular weight of 2451.69 g/mol, XLogP of 46.04, 41 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-tert-butylbenzene;bis(1-butan-2-yl-4-[1-(cyclohexylmethoxy)ethoxy]benzene);pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenoxy)-trimethylsilane;(4-butan-2-ylphenyl) acetate;(4-butan-2-ylphenyl) tert-butyl carbonate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate is sourced from PubChem (CID 158906861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).