1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene

C52H66O2 — CID 134882300

IUPAC1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene
SMILESCOC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C
InChIInChI=1S/C52H66O2/c1-35-33-36(2)46(52(54-16,43-29-21-39(22-30-43)49(9,10)11)44-31-23-40(24-32-44)50(12,13)14)34-45(35)51(53-15,41-25-17-37(18-26-41)47(3,4)5)42-27-19-38(20-28-42)48(6,7)8/h17-34H,1-16H3
InChIKeyZAHMFEXYYDMMLJ-UHFFFAOYSA-N
MW723.10 g/mol
LogP13.37
Rot. Bonds8

About 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene

1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene (PubChem CID 134882300) has the molecular formula C52H66O2 and a molecular weight of 723.10 g/mol. Its IUPAC name is 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene
PubChem CID134882300
Molecular FormulaC52H66O2
Molecular Weight723.10 g/mol
Exact Mass722.51
IUPAC Name1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene
SMILESCOC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C
InChIInChI=1S/C52H66O2/c1-35-33-36(2)46(52(54-16,43-29-21-39(22-30-43)49(9,10)11)44-31-23-40(24-32-44)50(12,13)14)34-45(35)51(53-15,41-25-17-37(18-26-41)47(3,4)5)42-27-19-38(20-28-42)48(6,7)8/h17-34H,1-16H3
InChIKeyZAHMFEXYYDMMLJ-UHFFFAOYSA-N
XLogP13.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.10
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene?
The IUPAC name of 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene (CID 134882300) is 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene is COC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1cc(C(OC)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c(C)cc1C.
What is the InChIKey of 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene?
The InChIKey is ZAHMFEXYYDMMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H66O2/c1-35-33-36(2)46(52(54-16,43-29-21-39(22-30-43)49(9,10)11)44-31-23-40(24-32-44)50(12,13)14)34-45(35)51(53-15,41-25-17-37(18-26-41)47(3,4)5)42-27-19-38(20-28-42)48(6,7)8/h17-34H,1-16H3.
What are the key properties of 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene?
1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene has a molecular weight of 723.10 g/mol, XLogP of 13.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 134882300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).