2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol

C56H90O9 — CID 118595331

IUPAC2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCCOCCO)c2OCCOCCO)c1
InChIInChI=1S/C56H90O9/c1-51(2,3)38-54(10,11)45-16-18-48(63-29-26-60-23-20-57)41(34-45)32-43-36-47(56(14,15)40-53(7,8)9)37-44(50(43)65-31-28-62-25-22-59)33-42-35-46(55(12,13)39-52(4,5)6)17-19-49(42)64-30-27-61-24-21-58/h16-19,34-37,57-59H,20-33,38-40H2,1-15H3
InChIKeyGMKPSLVENCFQFS-UHFFFAOYSA-N
MW907.33 g/mol
LogP11.17
Rot. Bonds28

About 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol

2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol (PubChem CID 118595331) has the molecular formula C56H90O9 and a molecular weight of 907.33 g/mol. Its IUPAC name is 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
PubChem CID118595331
Molecular FormulaC56H90O9
Molecular Weight907.33 g/mol
Exact Mass906.66
IUPAC Name2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCCOCCO)c2OCCOCCO)c1
InChIInChI=1S/C56H90O9/c1-51(2,3)38-54(10,11)45-16-18-48(63-29-26-60-23-20-57)41(34-45)32-43-36-47(56(14,15)40-53(7,8)9)37-44(50(43)65-31-28-62-25-22-59)33-42-35-46(55(12,13)39-52(4,5)6)17-19-49(42)64-30-27-61-24-21-58/h16-19,34-37,57-59H,20-33,38-40H2,1-15H3
InChIKeyGMKPSLVENCFQFS-UHFFFAOYSA-N
XLogP11.17
TPSA116.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.33
LogP ≤ 511.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol (CID 118595331) is 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol is CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCCOCCO)c2OCCOCCO)c1.
What is the InChIKey of 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
The InChIKey is GMKPSLVENCFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H90O9/c1-51(2,3)38-54(10,11)45-16-18-48(63-29-26-60-23-20-57)41(34-45)32-43-36-47(56(14,15)40-53(7,8)9)37-44(50(43)65-31-28-62-25-22-59)33-42-35-46(55(12,13)39-52(4,5)6)17-19-49(42)64-30-27-61-24-21-58/h16-19,34-37,57-59H,20-33,38-40H2,1-15H3.
What are the key properties of 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol has a molecular weight of 907.33 g/mol, XLogP of 11.17, 28 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[2-[2-(2-hydroxyethoxy)ethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxy]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 118595331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).