2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol

C26H46O12 — CID 67882501

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
SMILESOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)Oc1ccccc1
InChIInChI=1S/C26H46O12/c27-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-26(28)38-25-4-2-1-3-5-25/h1-5,26-28H,6-24H2
InChIKeyWWDSDNDYCWVZTQ-UHFFFAOYSA-N
MW550.64 g/mol
LogP0.53
Rot. Bonds30

About 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol (PubChem CID 67882501) has the molecular formula C26H46O12 and a molecular weight of 550.64 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
PubChem CID67882501
Molecular FormulaC26H46O12
Molecular Weight550.64 g/mol
Exact Mass550.30
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol
SMILESOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)Oc1ccccc1
InChIInChI=1S/C26H46O12/c27-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-26(28)38-25-4-2-1-3-5-25/h1-5,26-28H,6-24H2
InChIKeyWWDSDNDYCWVZTQ-UHFFFAOYSA-N
XLogP0.53
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.64
LogP ≤ 50.53
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol;prop-2-enoic acid
CID 67882500
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
2-(2-phenoxyethoxy)ethanol
CID 7715
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
3-[2-(2-hydroxyethoxy)ethoxy]-1,1,1-triphenylpropan-2-ol
CID 141363951
2-(2-hydroxyethoxy)-1-phenoxyethanol;2-methylprop-2-enoic acid;2-phenoxyethyl 2-methylprop-2-enoate
CID 159557307
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
1-(benzylamino)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 162513752
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
CID 21315702
2-phenoxy-4-(2-phenoxyethoxy)butane-1,3-diol
CID 57241098
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol (CID 67882501) is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol is OCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(O)Oc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol?
The InChIKey is WWDSDNDYCWVZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O12/c27-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-26(28)38-25-4-2-1-3-5-25/h1-5,26-28H,6-24H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol?
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol has a molecular weight of 550.64 g/mol, XLogP of 0.53, 30 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-phenoxyethanol is sourced from PubChem (CID 67882501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).