2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C30H54O9 — CID 20520040

IUPAC2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C30H54O9/c1-2-3-4-5-6-7-10-29-11-8-9-12-30(29)39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31/h8-9,11-12,31H,2-7,10,13-28H2,1H3
InChIKeyIEQGDBVVHGOEFU-UHFFFAOYSA-N
MW558.75 g/mol
LogP4.08
Rot. Bonds31

About 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 20520040) has the molecular formula C30H54O9 and a molecular weight of 558.75 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID20520040
Molecular FormulaC30H54O9
Molecular Weight558.75 g/mol
Exact Mass558.38
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C30H54O9/c1-2-3-4-5-6-7-10-29-11-8-9-12-30(29)39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31/h8-9,11-12,31H,2-7,10,13-28H2,1H3
InChIKeyIEQGDBVVHGOEFU-UHFFFAOYSA-N
XLogP4.08
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 157250181
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
CID 21315702
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
2-(2-pentoxyphenyl)ethanol
CID 91657515

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 20520040) is 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IEQGDBVVHGOEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O9/c1-2-3-4-5-6-7-10-29-11-8-9-12-30(29)39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31/h8-9,11-12,31H,2-7,10,13-28H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 558.75 g/mol, XLogP of 4.08, 31 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 20520040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).