1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane

C94H138O10 — CID 161125501

IUPAC1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane
SMILESCCC(C)c1ccc(OCOC)cc1.CCC(C)c1ccc(OCOC2C3CC4CC(C3)CC2C4)cc1.CCC(C)c1ccc(OCOC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H34O2.C21H30O2.C19H30O2.C17H26O2.C12H18O2/c1-3-20(2)22-13-15-25(16-14-22)27-19-26-18-17-21-9-11-24(12-10-21)23-7-5-4-6-8-23;1-3-14(2)17-4-6-20(7-5-17)22-13-23-21-18-9-15-8-16(11-18)12-19(21)10-15;1-3-16(2)18-9-11-19(12-10-18)21-15-20-14-13-17-7-5-4-6-8-17;1-3-14(2)15-9-11-17(12-10-15)19-13-18-16-7-5-4-6-8-16;1-4-10(2)11-5-7-12(8-6-11)14-9-13-3/h9-16,20,23H,3-8,17-19H2,1-2H3;4-7,14-16,18-19,21H,3,8-13H2,1-2H3;9-12,16-17H,3-8,13-15H2,1-2H3;9-12,14,16H,3-8,13H2,1-2H3;5-8,10H,4,9H2,1-3H3
InChIKeyULMUSYZYGGWQOW-UHFFFAOYSA-N
MW1428.13 g/mol
LogP25.81
Rot. Bonds34

About 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane

1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane (PubChem CID 161125501) has the molecular formula C94H138O10 and a molecular weight of 1428.13 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane
PubChem CID161125501
Molecular FormulaC94H138O10
Molecular Weight1428.13 g/mol
Exact Mass1427.03
IUPAC Name1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane
SMILESCCC(C)c1ccc(OCOC)cc1.CCC(C)c1ccc(OCOC2C3CC4CC(C3)CC2C4)cc1.CCC(C)c1ccc(OCOC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H34O2.C21H30O2.C19H30O2.C17H26O2.C12H18O2/c1-3-20(2)22-13-15-25(16-14-22)27-19-26-18-17-21-9-11-24(12-10-21)23-7-5-4-6-8-23;1-3-14(2)17-4-6-20(7-5-17)22-13-23-21-18-9-15-8-16(11-18)12-19(21)10-15;1-3-16(2)18-9-11-19(12-10-18)21-15-20-14-13-17-7-5-4-6-8-17;1-3-14(2)15-9-11-17(12-10-15)19-13-18-16-7-5-4-6-8-16;1-4-10(2)11-5-7-12(8-6-11)14-9-13-3/h9-16,20,23H,3-8,17-19H2,1-2H3;4-7,14-16,18-19,21H,3,8-13H2,1-2H3;9-12,16-17H,3-8,13-15H2,1-2H3;9-12,14,16H,3-8,13H2,1-2H3;5-8,10H,4,9H2,1-3H3
InChIKeyULMUSYZYGGWQOW-UHFFFAOYSA-N
XLogP25.81
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001428.13
LogP ≤ 525.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane with MolForge

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Related Compounds

1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
CID 89343379
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
1-[(4-butan-2-ylphenoxy)-(2-cyclohexylethoxy)methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-[2-(4-cyclohexylphenoxy)ethoxy]methyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-ethoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-methoxymethyl]-1H-indene;1-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-1H-indene;4-[(4-butan-2-ylphenoxy)-(8-tricyclo[5.2.1.02,6]decanyloxy)methyl]-3,4-dihydro-2H-thiochromene
CID 158690903
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
1,3-bis(ethoxymethoxy)-2,2-bis(ethoxymethoxymethyl)propane;bis(4-butan-2-ylphenol);bis(2-[(4-butan-2-ylphenoxy)methoxy]adamantane)
CID 91438737
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
1-[1-(2-cyclohexylethoxy)ethoxy]-4-ethenylbenzene;1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene;1-ethenyl-4-(1-ethoxyethoxy)benzene;1-ethenyl-4-(1-ethoxypropoxy)benzene;1-ethenyl-4-(methoxymethoxy)benzene;1-ethenyl-4-[1-(2-methylpropoxy)ethoxy]benzene;1-ethenyl-4-[1-(2-phenylethoxy)ethoxy]benzene
CID 158031559
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
1-(2-bromoethoxymethoxy)-4-butan-2-ylbenzene
CID 58559906
4-butan-2-yl-1-[1-(2-cyclohexylethoxy)ethoxy]-2-methoxybenzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;4-butan-2-yl-1-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]-2-methoxybenzene;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]propoxy]benzene;4-butan-2-yl-1-[1-[2-(4-cyclohexylphenoxy)ethoxy]propoxy]-2-methoxybenzene;methane;methyl 5-butan-2-yl-2-[1-(2-cyclohexylethoxy)ethoxy]benzoate
CID 160721201
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane?
The IUPAC name of 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane (CID 161125501) is 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane.
What is the SMILES notation for 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane?
The canonical SMILES for 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane is CCC(C)c1ccc(OCOC)cc1.CCC(C)c1ccc(OCOC2C3CC4CC(C3)CC2C4)cc1.CCC(C)c1ccc(OCOC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCC2CCCCC2)cc1.CCC(C)c1ccc(OCOCCc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane?
The InChIKey is ULMUSYZYGGWQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2.C21H30O2.C19H30O2.C17H26O2.C12H18O2/c1-3-20(2)22-13-15-25(16-14-22)27-19-26-18-17-21-9-11-24(12-10-21)23-7-5-4-6-8-23;1-3-14(2)17-4-6-20(7-5-17)22-13-23-21-18-9-15-8-16(11-18)12-19(21)10-15;1-3-16(2)18-9-11-19(12-10-18)21-15-20-14-13-17-7-5-4-6-8-17;1-3-14(2)15-9-11-17(12-10-15)19-13-18-16-7-5-4-6-8-16;1-4-10(2)11-5-7-12(8-6-11)14-9-13-3/h9-16,20,23H,3-8,17-19H2,1-2H3;4-7,14-16,18-19,21H,3,8-13H2,1-2H3;9-12,16-17H,3-8,13-15H2,1-2H3;9-12,14,16H,3-8,13H2,1-2H3;5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane?
1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane has a molecular weight of 1428.13 g/mol, XLogP of 25.81, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-cyclohexylethoxymethoxy)benzene;1-butan-2-yl-4-(cyclohexyloxymethoxy)benzene;1-butan-2-yl-4-[2-(4-cyclohexylphenyl)ethoxymethoxy]benzene;1-butan-2-yl-4-(methoxymethoxy)benzene;2-[(4-butan-2-ylphenoxy)methoxy]adamantane is sourced from PubChem (CID 161125501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).