1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol

C26H54O11 — CID 90068149

IUPAC1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
SMILESCCCCCCOCC(O)OCCOCCOCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C26H54O11/c1-3-5-6-7-8-36-25-26(27)37-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-4-2/h26-27H,3-25H2,1-2H3
InChIKeySNNVJBDHOMTVPY-UHFFFAOYSA-N
MW542.71 g/mol
LogP2.07
Rot. Bonds33

About 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol

1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol (PubChem CID 90068149) has the molecular formula C26H54O11 and a molecular weight of 542.71 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
PubChem CID90068149
Molecular FormulaC26H54O11
Molecular Weight542.71 g/mol
Exact Mass542.37
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
SMILESCCCCCCOCC(O)OCCOCCOCCOCCOCCOCCOCCOCCOCC
InChIInChI=1S/C26H54O11/c1-3-5-6-7-8-36-25-26(27)37-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-4-2/h26-27H,3-25H2,1-2H3
InChIKeySNNVJBDHOMTVPY-UHFFFAOYSA-N
XLogP2.07
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexane;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol;sulfuric acid
CID 90068233
2-ethoxy-1-[2-(2-ethoxyethoxy)ethoxy]ethanol
CID 88518191
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
1-(2-heptadecoxyethoxy)hexadecan-1-ol
CID 164522855
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-icosoxybutan-2-ol
CID 58176389
(2S)-1-octoxybutan-2-ol
CID 88988399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol (CID 90068149) is 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol is CCCCCCOCC(O)OCCOCCOCCOCCOCCOCCOCCOCCOCC.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol?
The InChIKey is SNNVJBDHOMTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O11/c1-3-5-6-7-8-36-25-26(27)37-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30-12-11-29-10-9-28-4-2/h26-27H,3-25H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol?
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol has a molecular weight of 542.71 g/mol, XLogP of 2.07, 33 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol is sourced from PubChem (CID 90068149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).