2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol

C23H40O6 — CID 21315702

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
SMILESCCCCCCCCCc1ccccc1OC(O)COCCOCCOCCO
InChIInChI=1S/C23H40O6/c1-2-3-4-5-6-7-8-11-21-12-9-10-13-22(21)29-23(25)20-28-19-18-27-17-16-26-15-14-24/h9-10,12-13,23-25H,2-8,11,14-20H2,1H3
InChIKeyVVQHKIWZPRIJRN-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.72
Rot. Bonds20

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol (PubChem CID 21315702) has the molecular formula C23H40O6 and a molecular weight of 412.57 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
PubChem CID21315702
Molecular FormulaC23H40O6
Molecular Weight412.57 g/mol
Exact Mass412.28
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
SMILESCCCCCCCCCc1ccccc1OC(O)COCCOCCOCCO
InChIInChI=1S/C23H40O6/c1-2-3-4-5-6-7-8-11-21-12-9-10-13-22(21)29-23(25)20-28-19-18-27-17-16-26-15-14-24/h9-10,12-13,23-25H,2-8,11,14-20H2,1H3
InChIKeyVVQHKIWZPRIJRN-UHFFFAOYSA-N
XLogP3.72
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
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
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363
1-[2-(2-nonylphenoxy)ethoxy]propan-2-ol
CID 71396064
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-(2-dodecylphenoxy)ethanol
CID 175113805
1-(2-octylphenoxy)propan-2-ol
CID 142740915
tris(2-hydroxyethyl)-[2-(2-nonylphenoxy)ethyl]azanium
CID 70367612
ethane-1,2-diol;ethene;1-octyl-2-(2-octylphenoxy)benzene
CID 67303058
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol (CID 21315702) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol is CCCCCCCCCc1ccccc1OC(O)COCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol?
The InChIKey is VVQHKIWZPRIJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O6/c1-2-3-4-5-6-7-8-11-21-12-9-10-13-22(21)29-23(25)20-28-19-18-27-17-16-26-15-14-24/h9-10,12-13,23-25H,2-8,11,14-20H2,1H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol has a molecular weight of 412.57 g/mol, XLogP of 3.72, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol is sourced from PubChem (CID 21315702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).