1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane

C170H262O23S — CID 159840812

IUPAC1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane
SMILESC.C.CCC(C)C(=O)OC(C)(C)C.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(C)CC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(CC)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C19H24O4S.C17H28O.C16H24O3.C15H24O2.3C14H22O2.5C10H14O.C9H18O2.2CH4/c1-4-14(2)16-7-9-17(10-8-16)23-15(3)21-11-12-22-19(20)18-6-5-13-24-18;1-7-13(2)15-8-10-16(11-9-15)18-14(3)12-17(4,5)6;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-5-12(4)13-8-10-14(11-9-13)17-15(6-2)16-7-3;3*1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;5*1-3-8(2)9-4-6-10(11)7-5-9;1-6-7(2)8(10)11-9(3,4)5;;/h5-10,13-15H,4,11-12H2,1-3H3;8-11,13-14H,7,12H2,1-6H3;7-10,12H,6,11H2,1-5H3;8-12,15H,5-7H2,1-4H3;3*7-12H,5-6H2,1-4H3;5*4-8,11H,3H2,1-2H3;7H,6H2,1-5H3;2*1H4
InChIKeyNOQPTXORVGWWJB-UHFFFAOYSA-N
MW2706.01 g/mol
LogP48.59
Rot. Bonds56

About 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane

1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane (PubChem CID 159840812) has the molecular formula C170H262O23S and a molecular weight of 2706.01 g/mol. Its IUPAC name is 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane.

Molecular Properties

Compound Name1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane
PubChem CID159840812
Molecular FormulaC170H262O23S
Molecular Weight2706.01 g/mol
Exact Mass2703.91
IUPAC Name1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane
SMILESC.C.CCC(C)C(=O)OC(C)(C)C.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(C)CC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(CC)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C19H24O4S.C17H28O.C16H24O3.C15H24O2.3C14H22O2.5C10H14O.C9H18O2.2CH4/c1-4-14(2)16-7-9-17(10-8-16)23-15(3)21-11-12-22-19(20)18-6-5-13-24-18;1-7-13(2)15-8-10-16(11-9-15)18-14(3)12-17(4,5)6;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-5-12(4)13-8-10-14(11-9-13)17-15(6-2)16-7-3;3*1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;5*1-3-8(2)9-4-6-10(11)7-5-9;1-6-7(2)8(10)11-9(3,4)5;;/h5-10,13-15H,4,11-12H2,1-3H3;8-11,13-14H,7,12H2,1-6H3;7-10,12H,6,11H2,1-5H3;8-12,15H,5-7H2,1-4H3;3*7-12H,5-6H2,1-4H3;5*4-8,11H,3H2,1-2H3;7H,6H2,1-5H3;2*1H4
InChIKeyNOQPTXORVGWWJB-UHFFFAOYSA-N
XLogP48.59
TPSA290.81 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds56
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.01
LogP ≤ 548.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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'}

Analyze 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane with MolForge

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Related Compounds

tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 18731020
(4-butan-2-ylphenyl)methyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]benzoate
CID 71073761
1-butan-2-yl-4-(1-ethoxypropoxy)benzene;1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol
CID 91131838
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 6-[4-(1-butoxyethoxy)phenyl]-2-ethyl-4-(4-hydroxyphenyl)heptanoate
CID 156673787
tert-butyl 3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoate
CID 54137263
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;(4-butan-2-ylphenyl) methyl carbonate
CID 91394144
4-butan-2-yl-1-(1-ethoxyethoxy)-2-methoxybenzene;(4-butan-2-yl-2-methoxyphenyl) tert-butyl carbonate;tert-butyl 2-(3-butan-2-ylphenoxy)acetate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate
CID 161347640
2-adamantyl 2-methylbutanoate;1-butan-2-yl-4-(1-ethoxyethoxy)benzene
CID 123587684
2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate
CID 20721855
2-[1-[4-[7-(4-acetyloxyphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-butylcyclohexane-1-carboxylate;4-butan-2-ylphenol;4-[2-(4-tert-butylphenyl)-6-[4-[1-(2-cyclohexylethoxy)ethoxy]phenyl]octan-4-yl]phenol;4-[2-(4-tert-butylphenyl)-6-[4-[1-(2-cyclohexylsulfanylethoxy)ethoxy]phenyl]octan-4-yl]phenol;2-[1-[4-[7-(4-tert-butylphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-butylcyclohexane-1-carboxylate;2-[1-[4-[7-(4-tert-butylphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl 4-tert-butylcyclohexane-1-carboxylate;2-[1-[4-[7-(4-tert-butylphenyl)-5-(4-hydroxyphenyl)octan-3-yl]phenoxy]ethoxy]ethyl thiophene-2-carboxylate;3-methylpentan-2-one
CID 160970932
tert-butyl [4-[5-[4-(1-ethoxyethoxy)phenyl]-9-(4-ethylphenyl)-7,11-bis(4-hydroxyphenyl)dodecan-3-yl]phenyl] carbonate
CID 22088342

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane?
The IUPAC name of 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane (CID 159840812) is 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane.
What is the SMILES notation for 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane?
The canonical SMILES for 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane is C.C.CCC(C)C(=O)OC(C)(C)C.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(C)CC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)OCCOC(=O)c2cccs2)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.CCOC(CC)Oc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane?
The InChIKey is NOQPTXORVGWWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4S.C17H28O.C16H24O3.C15H24O2.3C14H22O2.5C10H14O.C9H18O2.2CH4/c1-4-14(2)16-7-9-17(10-8-16)23-15(3)21-11-12-22-19(20)18-6-5-13-24-18;1-7-13(2)15-8-10-16(11-9-15)18-14(3)12-17(4,5)6;1-6-12(2)13-7-9-14(10-8-13)18-11-15(17)19-16(3,4)5;1-5-12(4)13-8-10-14(11-9-13)17-15(6-2)16-7-3;3*1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;5*1-3-8(2)9-4-6-10(11)7-5-9;1-6-7(2)8(10)11-9(3,4)5;;/h5-10,13-15H,4,11-12H2,1-3H3;8-11,13-14H,7,12H2,1-6H3;7-10,12H,6,11H2,1-5H3;8-12,15H,5-7H2,1-4H3;3*7-12H,5-6H2,1-4H3;5*4-8,11H,3H2,1-2H3;7H,6H2,1-5H3;2*1H4.
What are the key properties of 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane?
1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane has a molecular weight of 2706.01 g/mol, XLogP of 48.59, 56 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(4,4-dimethylpentan-2-yloxy)benzene;tris(1-butan-2-yl-4-(1-ethoxyethoxy)benzene);1-butan-2-yl-4-(1-ethoxypropoxy)benzene;pentakis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl thiophene-2-carboxylate;tert-butyl 2-(4-butan-2-ylphenoxy)acetate;tert-butyl 2-methylbutanoate;methane is sourced from PubChem (CID 159840812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).