1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane

C108H162O10 — CID 158876257

IUPAC1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CC3CC2C2CCCC32)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC(C)C)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C2CCCCC2)cc1
InChIInChI=1S/C27H40O2.C22H32O2.C21H34O2.C18H28O2.2C10H14O/c1-3-18(2)19-12-14-22(15-13-19)28-27(20-8-5-4-6-9-20)29-26-17-21-16-25(26)24-11-7-10-23(21)24;1-4-14(2)16-8-10-18(11-9-16)23-15(3)24-22-13-17-12-21(22)20-7-5-6-19(17)20;1-6-17(4)18-10-12-19(13-11-18)23-20(22-16(2)3)21(5)14-8-7-9-15-21;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-3-8(2)9-4-6-10(11)7-5-9/h12-15,18,20-21,23-27H,3-11,16-17H2,1-2H3;8-11,14-15,17,19-22H,4-7,12-13H2,1-3H3;10-13,16-17,20H,6-9,14-15H2,1-5H3;10-15,17H,4-9H2,1-3H3;2*4-8,11H,3H2,1-2H3
InChIKeyJCLVEWXWGXJYAU-UHFFFAOYSA-N
MW1620.47 g/mol
LogP30.48
Rot. Bonds30

About 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane (PubChem CID 158876257) has the molecular formula C108H162O10 and a molecular weight of 1620.47 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane
PubChem CID158876257
Molecular FormulaC108H162O10
Molecular Weight1620.47 g/mol
Exact Mass1619.22
IUPAC Name1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CC3CC2C2CCCC32)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC(C)C)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C2CCCCC2)cc1
InChIInChI=1S/C27H40O2.C22H32O2.C21H34O2.C18H28O2.2C10H14O/c1-3-18(2)19-12-14-22(15-13-19)28-27(20-8-5-4-6-9-20)29-26-17-21-16-25(26)24-11-7-10-23(21)24;1-4-14(2)16-8-10-18(11-9-16)23-15(3)24-22-13-17-12-21(22)20-7-5-6-19(17)20;1-6-17(4)18-10-12-19(13-11-18)23-20(22-16(2)3)21(5)14-8-7-9-15-21;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-3-8(2)9-4-6-10(11)7-5-9/h12-15,18,20-21,23-27H,3-11,16-17H2,1-2H3;8-11,14-15,17,19-22H,4-7,12-13H2,1-3H3;10-13,16-17,20H,6-9,14-15H2,1-5H3;10-15,17H,4-9H2,1-3H3;2*4-8,11H,3H2,1-2H3
InChIKeyJCLVEWXWGXJYAU-UHFFFAOYSA-N
XLogP30.48
TPSA114.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001620.47
LogP ≤ 530.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

1-butan-2-yl-4-(3,3-dimethyl-1-propan-2-yloxybutoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);2-[1-(4-butan-2-ylphenoxy)ethoxy]bicyclo[2.2.1]heptane;8-[1-(4-butan-2-ylphenoxy)-2-methylpropoxy]tricyclo[5.2.1.02,6]decane
CID 162002515
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
4-butan-2-ylphenol;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane;1,2-dimethyl-2,3-dihydro-1H-indene
CID 162258185
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene
CID 58939680
8-[(4-butan-2-ylphenoxy)-[4-(trifluoromethyl)phenyl]methoxy]tricyclo[5.2.1.02,6]decane
CID 176636675
1-butan-2-yl-4-[[1-(4-ethylphenyl)cyclohexyl]-propan-2-yloxymethoxy]benzene
CID 89398679
4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane
CID 118423859
tert-butyl [4-[6-[4-(1-cyclohexyloxyethoxy)phenyl]-2-(4-hydroxyphenyl)octan-4-yl]phenyl] carbonate
CID 54370516
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]adamantane
CID 159180214
1-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123451999
tris(1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene);bis(tert-butyl 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane;tetrakis(2-methoxyethyl 2,2-dimethylbutanoate)
CID 159046280
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

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane?
The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane (CID 158876257) is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OC2CC3CC2C2CCCC32)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC(C)C)C2(C)CCCCC2)cc1.CCC(C)c1ccc(OC(OC2CC3CC2C2CCCC32)C2CCCCC2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane?
The InChIKey is JCLVEWXWGXJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2.C22H32O2.C21H34O2.C18H28O2.2C10H14O/c1-3-18(2)19-12-14-22(15-13-19)28-27(20-8-5-4-6-9-20)29-26-17-21-16-25(26)24-11-7-10-23(21)24;1-4-14(2)16-8-10-18(11-9-16)23-15(3)24-22-13-17-12-21(22)20-7-5-6-19(17)20;1-6-17(4)18-10-12-19(13-11-18)23-20(22-16(2)3)21(5)14-8-7-9-15-21;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-3-8(2)9-4-6-10(11)7-5-9/h12-15,18,20-21,23-27H,3-11,16-17H2,1-2H3;8-11,14-15,17,19-22H,4-7,12-13H2,1-3H3;10-13,16-17,20H,6-9,14-15H2,1-5H3;10-15,17H,4-9H2,1-3H3;2*4-8,11H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane?
1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane has a molecular weight of 1620.47 g/mol, XLogP of 30.48, 30 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-[(1-methylcyclohexyl)-propan-2-yloxymethoxy]benzene;bis(4-butan-2-ylphenol);8-[(4-butan-2-ylphenoxy)-cyclohexylmethoxy]tricyclo[5.2.1.02,6]decane;8-[1-(4-butan-2-ylphenoxy)ethoxy]tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 158876257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).