1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene

C128H212O13 — CID 159091065

IUPAC1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene
SMILESCCC(C)c1ccc(OC(CC(C(C)C)C(C)C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C(C)C)C(C)C)OCCOC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C)C)OC2CCCCC2)cc1.CCOC(CC1CCCCC1)Oc1ccc(C(C)CC)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)(C)C.CCOC(Oc1ccc(C(C)CC)cc1)C(C)C
InChIInChI=1S/C27H46O3.C27H46O2.C21H34O2.C20H32O2.C17H28O2.C16H26O2/c1-7-22(6)23-13-15-25(16-14-23)30-27(19-26(20(2)3)21(4)5)29-18-17-28-24-11-9-8-10-12-24;1-7-22(6)24-13-15-25(16-14-24)29-27(19-26(20(2)3)21(4)5)28-18-17-23-11-9-8-10-12-23;1-5-17(4)18-11-13-20(14-12-18)23-21(15-16(2)3)22-19-9-7-6-8-10-19;1-4-16(3)18-11-13-19(14-12-18)22-20(21-5-2)15-17-9-7-6-8-10-17;1-7-13(3)14-9-11-15(12-10-14)19-16(18-8-2)17(4,5)6;1-6-13(5)14-8-10-15(11-9-14)18-16(12(3)4)17-7-2/h13-16,20-22,24,26-27H,7-12,17-19H2,1-6H3;13-16,20-23,26-27H,7-12,17-19H2,1-6H3;11-14,16-17,19,21H,5-10,15H2,1-4H3;11-14,16-17,20H,4-10,15H2,1-3H3;9-13,16H,7-8H2,1-6H3;8-13,16H,6-7H2,1-5H3
InChIKeyKCBGJVJKHLVQOG-UHFFFAOYSA-N
MW1959.09 g/mol
LogP37.60
Rot. Bonds54

About 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene

1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene (PubChem CID 159091065) has the molecular formula C128H212O13 and a molecular weight of 1959.09 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene
PubChem CID159091065
Molecular FormulaC128H212O13
Molecular Weight1959.09 g/mol
Exact Mass1957.59
IUPAC Name1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene
SMILESCCC(C)c1ccc(OC(CC(C(C)C)C(C)C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C(C)C)C(C)C)OCCOC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C)C)OC2CCCCC2)cc1.CCOC(CC1CCCCC1)Oc1ccc(C(C)CC)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)(C)C.CCOC(Oc1ccc(C(C)CC)cc1)C(C)C
InChIInChI=1S/C27H46O3.C27H46O2.C21H34O2.C20H32O2.C17H28O2.C16H26O2/c1-7-22(6)23-13-15-25(16-14-23)30-27(19-26(20(2)3)21(4)5)29-18-17-28-24-11-9-8-10-12-24;1-7-22(6)24-13-15-25(16-14-24)29-27(19-26(20(2)3)21(4)5)28-18-17-23-11-9-8-10-12-23;1-5-17(4)18-11-13-20(14-12-18)23-21(15-16(2)3)22-19-9-7-6-8-10-19;1-4-16(3)18-11-13-19(14-12-18)22-20(21-5-2)15-17-9-7-6-8-10-17;1-7-13(3)14-9-11-15(12-10-14)19-16(18-8-2)17(4,5)6;1-6-13(5)14-8-10-15(11-9-14)18-16(12(3)4)17-7-2/h13-16,20-22,24,26-27H,7-12,17-19H2,1-6H3;13-16,20-23,26-27H,7-12,17-19H2,1-6H3;11-14,16-17,19,21H,5-10,15H2,1-4H3;11-14,16-17,20H,4-10,15H2,1-3H3;9-13,16H,7-8H2,1-6H3;8-13,16H,6-7H2,1-5H3
InChIKeyKCBGJVJKHLVQOG-UHFFFAOYSA-N
XLogP37.60
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds54
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001959.09
LogP ≤ 537.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'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-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene with MolForge

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Related Compounds

1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-(2,2,5-trimethylhexan-3-yl)benzene
CID 123766383
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-[1-(cyclohexylmethoxy)-2-methylpropoxy]benzene;1-butan-2-yl-4-(1-methoxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexyloxyethoxy)methyl]adamantane
CID 157218949
1-butan-2-yl-4-[2-cyclohexyl-1-(2-cyclohexylethoxy)ethoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;bis(4-butan-2-ylphenol);1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane;methane
CID 159455343
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
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
1-butan-2-yl-4-[3,3-dicyclohexyl-1-(cyclohexylmethoxy)propoxy]benzene
CID 118048632
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
CID 140648633
1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
CID 90367452
1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
CID 89343379
1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504
1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
CID 140653876

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene (CID 159091065) is 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene is CCC(C)c1ccc(OC(CC(C(C)C)C(C)C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C(C)C)C(C)C)OCCOC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C)C)OC2CCCCC2)cc1.CCOC(CC1CCCCC1)Oc1ccc(C(C)CC)cc1.CCOC(Oc1ccc(C(C)CC)cc1)C(C)(C)C.CCOC(Oc1ccc(C(C)CC)cc1)C(C)C.
What is the InChIKey of 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene?
The InChIKey is KCBGJVJKHLVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O3.C27H46O2.C21H34O2.C20H32O2.C17H28O2.C16H26O2/c1-7-22(6)23-13-15-25(16-14-23)30-27(19-26(20(2)3)21(4)5)29-18-17-28-24-11-9-8-10-12-24;1-7-22(6)24-13-15-25(16-14-24)29-27(19-26(20(2)3)21(4)5)28-18-17-23-11-9-8-10-12-23;1-5-17(4)18-11-13-20(14-12-18)23-21(15-16(2)3)22-19-9-7-6-8-10-19;1-4-16(3)18-11-13-19(14-12-18)22-20(21-5-2)15-17-9-7-6-8-10-17;1-7-13(3)14-9-11-15(12-10-14)19-16(18-8-2)17(4,5)6;1-6-13(5)14-8-10-15(11-9-14)18-16(12(3)4)17-7-2/h13-16,20-22,24,26-27H,7-12,17-19H2,1-6H3;13-16,20-23,26-27H,7-12,17-19H2,1-6H3;11-14,16-17,19,21H,5-10,15H2,1-4H3;11-14,16-17,20H,4-10,15H2,1-3H3;9-13,16H,7-8H2,1-6H3;8-13,16H,6-7H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene?
1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene has a molecular weight of 1959.09 g/mol, XLogP of 37.60, 54 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-cyclohexyl-1-ethoxyethoxy)benzene;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-[1-(2-cyclohexyloxyethoxy)-4-methyl-3-propan-2-ylpentoxy]benzene;1-butan-2-yl-4-(1-cyclohexyloxy-3-methylbutoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2,2-dimethylpropoxy)benzene;1-butan-2-yl-4-(1-ethoxy-2-methylpropoxy)benzene is sourced from PubChem (CID 159091065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).