1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate

C165H232O22 — CID 159748185

IUPAC1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)C.CCC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(=O)OC(C)(C)C)c1.CCC(C)c1cccc(OC(C)=O)c1.CCOC(=O)Oc1cccc(C(C)CC)c1
InChIInChI=1S/C32H34O3.C18H28O2.C16H26O2.C15H22O3.C13H18O3.C12H16O2.5C10H14O.C9H18O2/c1-4-24(2)26-18-20-29(21-19-26)35-25(3)33-22-23-34-32-30(27-12-7-5-8-13-27)16-11-17-31(32)28-14-9-6-10-15-28;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10(2)15(17)18-16(3)13-6-11-5-12(8-13)9-14(16)7-11;1-6-11(2)12-8-7-9-13(10-12)17-14(16)18-15(3,4)5;1-4-10(3)11-7-6-8-12(9-11)16-13(14)15-5-2;1-4-9(2)11-6-5-7-12(8-11)14-10(3)13;2*1-3-8(2)9-4-6-10(11)7-5-9;3*1-3-8(2)9-5-4-6-10(11)7-9;1-6-7(2)8(10)11-9(3,4)5/h5-21,24-25H,4,22-23H2,1-3H3;10-15,17H,4-9H2,1-3H3;10-14H,4-9H2,1-3H3;7-11H,6H2,1-5H3;6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3;7H,6H2,1-5H3
InChIKeyNDHWHSZIRCPGDA-UHFFFAOYSA-N
MW2567.65 g/mol
LogP45.70
Rot. Bonds42

About 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate (PubChem CID 159748185) has the molecular formula C165H232O22 and a molecular weight of 2567.65 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate
PubChem CID159748185
Molecular FormulaC165H232O22
Molecular Weight2567.65 g/mol
Exact Mass2565.70
IUPAC Name1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC(C)(C)C.CCC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(=O)OC(C)(C)C)c1.CCC(C)c1cccc(OC(C)=O)c1.CCOC(=O)Oc1cccc(C(C)CC)c1
InChIInChI=1S/C32H34O3.C18H28O2.C16H26O2.C15H22O3.C13H18O3.C12H16O2.5C10H14O.C9H18O2/c1-4-24(2)26-18-20-29(21-19-26)35-25(3)33-22-23-34-32-30(27-12-7-5-8-13-27)16-11-17-31(32)28-14-9-6-10-15-28;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10(2)15(17)18-16(3)13-6-11-5-12(8-13)9-14(16)7-11;1-6-11(2)12-8-7-9-13(10-12)17-14(16)18-15(3,4)5;1-4-10(3)11-7-6-8-12(9-11)16-13(14)15-5-2;1-4-9(2)11-6-5-7-12(8-11)14-10(3)13;2*1-3-8(2)9-4-6-10(11)7-5-9;3*1-3-8(2)9-5-4-6-10(11)7-9;1-6-7(2)8(10)11-9(3,4)5/h5-21,24-25H,4,22-23H2,1-3H3;10-15,17H,4-9H2,1-3H3;10-14H,4-9H2,1-3H3;7-11H,6H2,1-5H3;6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3;7H,6H2,1-5H3
InChIKeyNDHWHSZIRCPGDA-UHFFFAOYSA-N
XLogP45.70
TPSA297.26 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002567.65
LogP ≤ 545.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

2-(1-adamantyl)propan-2-yl 2-methylbutanoate;butan-2-ylbenzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;pentakis(4-butan-2-ylphenol);(4-butan-2-ylphenyl) tert-butyl carbonate;tris((2-methyl-2-adamantyl) 2-methylbutanoate);(1-methylcyclohexyl) 2-methylbutanoate
CID 159179051
2-(1-adamantyl)propan-2-yl 2-methylbutanoate;butane;butan-2-ylbenzene;bis(4-butan-2-ylphenol);(4-butan-2-ylphenyl) tert-butyl carbonate;bis((2-methyl-2-adamantyl) 2-methylbutanoate);phenol
CID 159431768
tert-butyl [4-[6-[4-(1-cyclohexyloxyethoxy)phenyl]-2-(4-hydroxyphenyl)octan-4-yl]phenyl] carbonate
CID 54370516
4-butan-2-ylphenol;(2-methyl-2-adamantyl) 2-methylbutanoate
CID 91274644
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
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-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
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
tert-butyl 6-(4-tert-butylphenyl)-2-[4-[4-(1-cyclohexyloxyethoxy)phenyl]pentyl]octanoate
CID 129292491
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-tert-butylcyclohexane-1-carboxylate
CID 18724486
1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
CID 123335154
bis(1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene);bis(4-butan-2-ylphenol);methane;[4-[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino]oxysulfonylphenyl] 2,2-dimethylbutanoate;triphenylsulfanium
CID 172938733

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate?
The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate (CID 159748185) is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate.
What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate?
The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate is CCC(C)C(=O)OC(C)(C)C.CCC(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OCCOc2c(-c3ccccc3)cccc2-c2ccccc2)cc1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(O)c1.CCC(C)c1cccc(OC(=O)OC(C)(C)C)c1.CCC(C)c1cccc(OC(C)=O)c1.CCOC(=O)Oc1cccc(C(C)CC)c1.
What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate?
The InChIKey is NDHWHSZIRCPGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3.C18H28O2.C16H26O2.C15H22O3.C13H18O3.C12H16O2.5C10H14O.C9H18O2/c1-4-24(2)26-18-20-29(21-19-26)35-25(3)33-22-23-34-32-30(27-12-7-5-8-13-27)16-11-17-31(32)28-14-9-6-10-15-28;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;1-4-10(2)15(17)18-16(3)13-6-11-5-12(8-13)9-14(16)7-11;1-6-11(2)12-8-7-9-13(10-12)17-14(16)18-15(3,4)5;1-4-10(3)11-7-6-8-12(9-11)16-13(14)15-5-2;1-4-9(2)11-6-5-7-12(8-11)14-10(3)13;2*1-3-8(2)9-4-6-10(11)7-5-9;3*1-3-8(2)9-5-4-6-10(11)7-9;1-6-7(2)8(10)11-9(3,4)5/h5-21,24-25H,4,22-23H2,1-3H3;10-15,17H,4-9H2,1-3H3;10-14H,4-9H2,1-3H3;7-11H,6H2,1-5H3;6-10H,4-5H2,1-3H3;5-9H,4H2,1-3H3;5*4-8,11H,3H2,1-2H3;7H,6H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate?
1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate has a molecular weight of 2567.65 g/mol, XLogP of 45.70, 42 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;tris(3-butan-2-ylphenol);bis(4-butan-2-ylphenol);2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;(3-butan-2-ylphenyl) acetate;(3-butan-2-ylphenyl) tert-butyl carbonate;(3-butan-2-ylphenyl) ethyl carbonate;tert-butyl 2-methylbutanoate;(2-methyl-2-adamantyl) 2-methylbutanoate is sourced from PubChem (CID 159748185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).