2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol

C57H68O11S — CID 142556990

IUPAC2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol
SMILESCCC(CC)(CO)OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C57H68O11S/c1-3-57(4-2,45-58)68-54(41-62-49-29-17-8-18-30-49)42-66-52(36-60-47-25-13-6-14-26-47)39-64-51(35-59-46-23-11-5-12-24-46)38-65-53(37-61-48-27-15-7-16-28-48)40-67-55(43-63-50-31-19-9-20-32-50)44-69-56-33-21-10-22-34-56/h5-34,51-55,58H,3-4,35-45H2,1-2H3
InChIKeySBZWEUHACXITMI-UHFFFAOYSA-N
MW961.23 g/mol
LogP10.65
Rot. Bonds35

About 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol

2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol (PubChem CID 142556990) has the molecular formula C57H68O11S and a molecular weight of 961.23 g/mol. Its IUPAC name is 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol
PubChem CID142556990
Molecular FormulaC57H68O11S
Molecular Weight961.23 g/mol
Exact Mass960.45
IUPAC Name2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol
SMILESCCC(CC)(CO)OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CSc1ccccc1
InChIInChI=1S/C57H68O11S/c1-3-57(4-2,45-58)68-54(41-62-49-29-17-8-18-30-49)42-66-52(36-60-47-25-13-6-14-26-47)39-64-51(35-59-46-23-11-5-12-24-46)38-65-53(37-61-48-27-15-7-16-28-48)40-67-55(43-63-50-31-19-9-20-32-50)44-69-56-33-21-10-22-34-56/h5-34,51-55,58H,3-4,35-45H2,1-2H3
InChIKeySBZWEUHACXITMI-UHFFFAOYSA-N
XLogP10.65
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds35
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.23
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[2-methyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutoxy]propan-2-ylphosphonic acid
CID 142556989
(Z)-4-[1-[4-[2-[4-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]propan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 59914319
(E)-4-[1-[4-[2-[4-[2-[4-[2-[(E)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 23389930
[1-phenylsulfanyl-3-[4-[2-[4-(3-phenylsulfanyl-2-prop-2-enoyloxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-yl] prop-2-enoate
CID 23389656
1-phenoxy-3-phenylsulfanylpropane-2-thiol
CID 102274006
[1-[4-[4-methyl-2-[4-(3-phenylsulfanyl-2-prop-2-enoyloxypropoxy)phenyl]pentan-2-yl]phenoxy]-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 23389637
(Z)-4-[1-[4-[4-[2-[(Z)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]sulfanylphenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 59914348
(E)-4-[1-[4-[4-[2-[(E)-3-carboxyprop-2-enoyl]oxy-3-phenylsulfanylpropoxy]phenyl]sulfanylphenoxy]-3-phenylsulfanylpropan-2-yl]oxy-4-oxobut-2-enoic acid
CID 23389959
[1-phenoxy-3-[4-[4-(3-phenoxy-2-prop-2-enoyloxypropyl)sulfanylphenyl]sulfanylphenyl]sulfanylpropan-2-yl] prop-2-enoate
CID 23111056
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
3-[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]-2-[[3-[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]-2-[[3-(1,3-diphenoxypropan-2-yloxy)-2-(1,3-diphenoxypropan-2-yloxymethyl)propoxy]methyl]propoxy]methyl]propan-1-ol
CID 101206385
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol?
The IUPAC name of 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol (CID 142556990) is 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol.
What is the SMILES notation for 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol?
The canonical SMILES for 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol is CCC(CC)(CO)OC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)COC(COc1ccccc1)CSc1ccccc1.
What is the InChIKey of 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol?
The InChIKey is SBZWEUHACXITMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68O11S/c1-3-57(4-2,45-58)68-54(41-62-49-29-17-8-18-30-49)42-66-52(36-60-47-25-13-6-14-26-47)39-64-51(35-59-46-23-11-5-12-24-46)38-65-53(37-61-48-27-15-7-16-28-48)40-67-55(43-63-50-31-19-9-20-32-50)44-69-56-33-21-10-22-34-56/h5-34,51-55,58H,3-4,35-45H2,1-2H3.
What are the key properties of 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol?
2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol has a molecular weight of 961.23 g/mol, XLogP of 10.65, 35 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-[1-phenoxy-3-(1-phenoxy-3-phenylsulfanylpropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxybutan-1-ol is sourced from PubChem (CID 142556990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).