1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate

C135H212O14 — CID 159083313

IUPAC1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate
SMILESCCC(C)c1ccc(OC(C(=O)OC(C)(C)C)C(C)C)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCc2ccc(C3CCCCC3)cc2)C(C)C)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)C
InChIInChI=1S/C28H40O2.C22H36O2.C20H32O2.C19H30O3.C16H26O2.C15H24O2.C15H24O/c1-5-22(4)24-15-17-27(18-16-24)30-28(21(2)3)29-20-19-23-11-13-26(14-12-23)25-9-7-6-8-10-25;1-5-18(4)20-11-13-21(14-12-20)24-22(17(2)3)23-16-15-19-9-7-6-8-10-19;1-5-16(4)17-11-13-19(14-12-17)22-20(15(2)3)21-18-9-7-6-8-10-18;1-8-14(4)15-9-11-16(12-10-15)21-17(13(2)3)18(20)22-19(5,6)7;1-6-13(5)14-8-10-15(11-9-14)18-16(12(3)4)17-7-2;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2/h11-18,21-22,25,28H,5-10,19-20H2,1-4H3;11-14,17-19,22H,5-10,15-16H2,1-4H3;11-16,18,20H,5-10H2,1-4H3;9-14,17H,8H2,1-7H3;8-13,16H,6-7H2,1-5H3;7-12,15H,6H2,1-5H3;8-12H,6-7H2,1-5H3
InChIKeyKBCZRLOLDTYQBA-UHFFFAOYSA-N
MW2059.17 g/mol
LogP38.84
Rot. Bonds50

About 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate (PubChem CID 159083313) has the molecular formula C135H212O14 and a molecular weight of 2059.17 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate
PubChem CID159083313
Molecular FormulaC135H212O14
Molecular Weight2059.17 g/mol
Exact Mass2057.59
IUPAC Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate
SMILESCCC(C)c1ccc(OC(C(=O)OC(C)(C)C)C(C)C)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCc2ccc(C3CCCCC3)cc2)C(C)C)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)C
InChIInChI=1S/C28H40O2.C22H36O2.C20H32O2.C19H30O3.C16H26O2.C15H24O2.C15H24O/c1-5-22(4)24-15-17-27(18-16-24)30-28(21(2)3)29-20-19-23-11-13-26(14-12-23)25-9-7-6-8-10-25;1-5-18(4)20-11-13-21(14-12-20)24-22(17(2)3)23-16-15-19-9-7-6-8-10-19;1-5-16(4)17-11-13-19(14-12-17)22-20(15(2)3)21-18-9-7-6-8-10-18;1-8-14(4)15-9-11-16(12-10-15)21-17(13(2)3)18(20)22-19(5,6)7;1-6-13(5)14-8-10-15(11-9-14)18-16(12(3)4)17-7-2;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2/h11-18,21-22,25,28H,5-10,19-20H2,1-4H3;11-14,17-19,22H,5-10,15-16H2,1-4H3;11-16,18,20H,5-10H2,1-4H3;9-14,17H,8H2,1-7H3;8-13,16H,6-7H2,1-5H3;7-12,15H,6H2,1-5H3;8-12H,6-7H2,1-5H3
InChIKeyKBCZRLOLDTYQBA-UHFFFAOYSA-N
XLogP38.84
TPSA137.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds50
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.17
LogP ≤ 538.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate?
The IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate (CID 159083313) is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate.
What is the SMILES notation for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate?
The canonical SMILES for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate is CCC(C)c1ccc(OC(C(=O)OC(C)(C)C)C(C)C)cc1.CCC(C)c1ccc(OC(C)(C)CC)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCC2CCCCC2)C(C)C)cc1.CCC(C)c1ccc(OC(OCCc2ccc(C3CCCCC3)cc2)C(C)C)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)C.
What is the InChIKey of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate?
The InChIKey is KBCZRLOLDTYQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O2.C22H36O2.C20H32O2.C19H30O3.C16H26O2.C15H24O2.C15H24O/c1-5-22(4)24-15-17-27(18-16-24)30-28(21(2)3)29-20-19-23-11-13-26(14-12-23)25-9-7-6-8-10-25;1-5-18(4)20-11-13-21(14-12-20)24-22(17(2)3)23-16-15-19-9-7-6-8-10-19;1-5-16(4)17-11-13-19(14-12-17)22-20(15(2)3)21-18-9-7-6-8-10-18;1-8-14(4)15-9-11-16(12-10-15)21-17(13(2)3)18(20)22-19(5,6)7;1-6-13(5)14-8-10-15(11-9-14)18-16(12(3)4)17-7-2;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-6-12(3)13-8-10-14(11-9-13)16-15(4,5)7-2/h11-18,21-22,25,28H,5-10,19-20H2,1-4H3;11-14,17-19,22H,5-10,15-16H2,1-4H3;11-16,18,20H,5-10H2,1-4H3;9-14,17H,8H2,1-7H3;8-13,16H,6-7H2,1-5H3;7-12,15H,6H2,1-5H3;8-12H,6-7H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate?
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate has a molecular weight of 2059.17 g/mol, XLogP of 38.84, 50 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-2-methylpropoxy)benzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;1-butan-2-yl-4-(2-methylbutan-2-yloxy)benzene;tert-butyl 2-(4-butan-2-ylphenoxy)-3-methylbutanoate is sourced from PubChem (CID 159083313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).