2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol

C59H96O12 — CID 6604381

IUPAC2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCOCCOCCO)c2OCOCCOCCO)c1
InChIInChI=1S/C59H96O12/c1-54(2,3)38-57(10,11)48-16-18-51(69-41-66-29-26-63-23-20-60)44(34-48)32-46-36-50(59(14,15)40-56(7,8)9)37-47(53(46)71-43-68-31-28-65-25-22-62)33-45-35-49(58(12,13)39-55(4,5)6)17-19-52(45)70-42-67-30-27-64-24-21-61/h16-19,34-37,60-62H,20-33,38-43H2,1-15H3
InChIKeyZLWMZCWKIALKPX-UHFFFAOYSA-N
MW997.40 g/mol
LogP11.10
Rot. Bonds34

About 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol

2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol (PubChem CID 6604381) has the molecular formula C59H96O12 and a molecular weight of 997.40 g/mol. Its IUPAC name is 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol
PubChem CID6604381
Molecular FormulaC59H96O12
Molecular Weight997.40 g/mol
Exact Mass996.69
IUPAC Name2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCOCCOCCO)c2OCOCCOCCO)c1
InChIInChI=1S/C59H96O12/c1-54(2,3)38-57(10,11)48-16-18-51(69-41-66-29-26-63-23-20-60)44(34-48)32-46-36-50(59(14,15)40-56(7,8)9)37-47(53(46)71-43-68-31-28-65-25-22-62)33-45-35-49(58(12,13)39-55(4,5)6)17-19-52(45)70-42-67-30-27-64-24-21-61/h16-19,34-37,60-62H,20-33,38-43H2,1-15H3
InChIKeyZLWMZCWKIALKPX-UHFFFAOYSA-N
XLogP11.10
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.40
LogP ≤ 511.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol (CID 6604381) is 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol is CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCOCCOCCO)c2OCOCCOCCO)c1.
What is the InChIKey of 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol?
The InChIKey is ZLWMZCWKIALKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H96O12/c1-54(2,3)38-57(10,11)48-16-18-51(69-41-66-29-26-63-23-20-60)44(34-48)32-46-36-50(59(14,15)40-56(7,8)9)37-47(53(46)71-43-68-31-28-65-25-22-62)33-45-35-49(58(12,13)39-55(4,5)6)17-19-52(45)70-42-67-30-27-64-24-21-61/h16-19,34-37,60-62H,20-33,38-43H2,1-15H3.
What are the key properties of 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol?
2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol has a molecular weight of 997.40 g/mol, XLogP of 11.10, 34 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-3-[[2-[2-(2-hydroxyethoxy)ethoxymethoxy]-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]methoxy]ethoxy]ethanol is sourced from PubChem (CID 6604381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).