bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium

C50H88O2Sm2 — CID 23229297

IUPACbis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Sm].[Sm]
InChIInChI=1S/2C15H24O.2C10H20.2Sm/c2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-6-7(2)9(4)10(5)8(6)3;;/h2*8-9,16H,1-7H3;2*6-10H,1-5H3;;
InChIKeyQBWBYWJPSZTLBA-UHFFFAOYSA-N
MW1021.97 g/mol
LogP14.95
Rot. Bonds

About bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium

bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium (PubChem CID 23229297) has the molecular formula C50H88O2Sm2 and a molecular weight of 1021.97 g/mol. Its IUPAC name is bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium.

Molecular Properties

Compound Namebis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
PubChem CID23229297
Molecular FormulaC50H88O2Sm2
Molecular Weight1021.97 g/mol
Exact Mass1024.52
IUPAC Namebis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
SMILESCC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Sm].[Sm]
InChIInChI=1S/2C15H24O.2C10H20.2Sm/c2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-6-7(2)9(4)10(5)8(6)3;;/h2*8-9,16H,1-7H3;2*6-10H,1-5H3;;
InChIKeyQBWBYWJPSZTLBA-UHFFFAOYSA-N
XLogP14.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.97
LogP ≤ 514.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium with MolForge

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

Launch Full Analysis

Related Compounds

tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
carbanide;cyclopentane;2,6-ditert-butyl-4-methylphenol;dichlorotitanium
CID 162285588
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
2,2-bis(3-tert-butyl-2-hydroxy-5-methylphenyl)propanoic acid
CID 88656141

Frequently Asked Questions

What is the IUPAC name of bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium?
The IUPAC name of bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium (CID 23229297) is bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium.
What is the SMILES notation for bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium?
The canonical SMILES for bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium is CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Sm].[Sm].
What is the InChIKey of bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium?
The InChIKey is QBWBYWJPSZTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24O.2C10H20.2Sm/c2*1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;2*1-6-7(2)9(4)10(5)8(6)3;;/h2*8-9,16H,1-7H3;2*6-10H,1-5H3;;.
What are the key properties of bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium?
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium has a molecular weight of 1021.97 g/mol, XLogP of 14.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium is sourced from PubChem (CID 23229297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).