1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene

C81H112O8 — CID 91279991

About 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene

1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene (PubChem CID 91279991) has the molecular formula C81H112O8 and a molecular weight of 1213.78 g/mol. Its IUPAC name is 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene.

Molecular Properties

• Compound Name: 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
• PubChem CID: 91279991
• Molecular Formula: C81H112O8
• Molecular Weight: 1213.78 g/mol
• Exact Mass: 1212.84
• IUPAC Name: 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
• SMILES: CCC1CCC(OC(=O)CCc2ccc(-c3ccc(C)cc3)cc2)CC1.CCC1CCC(c2ccc(OCCCCOCCCCCCOc3ccc(C)cc3C)c(C)c2)CC1.Cc1ccc(COc2ccc(OCCCOC3CCC(C)CC3)cc2)cc1
• InChI: InChI=1S/C33H50O3.C24H32O3.C24H30O2/c1-5-29-13-15-30(16-14-29)31-17-19-33(28(4)25-31)36-23-11-10-21-34-20-8-6-7-9-22-35-32-18-12-26(2)24-27(32)3;1-19-4-8-21(9-5-19)18-27-24-14-12-23(13-15-24)26-17-3-16-25-22-10-6-20(2)7-11-22;1-3-19-8-15-23(16-9-19)26-24(25)17-10-20-6-13-22(14-7-20)21-11-4-18(2)5-12-21/h12,17-19,24-25,29-30H,5-11,13-16,20-23H2,1-4H3;4-5,8-9,12-15,20,22H,3,6-7,10-11,16-18H2,1-2H3;4-7,11-14,19,23H,3,8-10,15-17H2,1-2H3
• InChIKey: LNVXWJVUTGKQQV-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 31
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.78
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?

The IUPAC name of 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene (CID 91279991) is 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene.

What is the SMILES notation for 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?

The canonical SMILES for 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene is CCC1CCC(OC(=O)CCc2ccc(-c3ccc(C)cc3)cc2)CC1.CCC1CCC(c2ccc(OCCCCOCCCCCCOc3ccc(C)cc3C)c(C)c2)CC1.Cc1ccc(COc2ccc(OCCCOC3CCC(C)CC3)cc2)cc1.

What is the InChIKey of 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?

The InChIKey is LNVXWJVUTGKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O3.C24H32O3.C24H30O2/c1-5-29-13-15-30(16-14-29)31-17-19-33(28(4)25-31)36-23-11-10-21-34-20-8-6-7-9-22-35-32-18-12-26(2)24-27(32)3;1-19-4-8-21(9-5-19)18-27-24-14-12-23(13-15-24)26-17-3-16-25-22-10-6-20(2)7-11-22;1-3-19-8-15-23(16-9-19)26-24(25)17-10-20-6-13-22(14-7-20)21-11-4-18(2)5-12-21/h12,17-19,24-25,29-30H,5-11,13-16,20-23H2,1-4H3;4-5,8-9,12-15,20,22H,3,6-7,10-11,16-18H2,1-2H3;4-7,11-14,19,23H,3,8-10,15-17H2,1-2H3.

What are the key properties of 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene?

1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene has a molecular weight of 1213.78 g/mol, XLogP of 21.16, 31 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-(2,4-dimethylphenoxy)hexoxy]butoxy]-4-(4-ethylcyclohexyl)-2-methylbenzene;(4-ethylcyclohexyl) 3-[4-(4-methylphenyl)phenyl]propanoate;1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene is sourced from PubChem (CID 91279991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).