Nonaethylene Glycol Nonylphenyl Ether

C33H60O10 — CID 72385

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKeyFBWNMEQMRUMQSO-UHFFFAOYSA-N
MW616.80 g/mol
LogP4.60
Rot. Bonds35

About Nonaethylene Glycol Nonylphenyl Ether

Nonaethylene Glycol Nonylphenyl Ether (PubChem CID 72385) has the molecular formula C33H60O10 and a molecular weight of 616.80 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound NameNonaethylene Glycol Nonylphenyl Ether
PubChem CID72385
Molecular FormulaC33H60O10
Molecular Weight616.80 g/mol
Exact Mass616.42
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKeyFBWNMEQMRUMQSO-UHFFFAOYSA-N
XLogP4.60
TPSA103.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms43
Complexity520

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 4059
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Triton X 100
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4-Nonylphenol diethoxylate
CID 24773
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
4-Methoxyphenethyl alcohol
CID 69705
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
3-(4-Methoxyphenyl)-1-propanol
CID 79406
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(p-Nonylphenoxy)ethanol
CID 7700
Bisphenol A diglycidyl ether diacrylate
CID 92212
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525

Frequently Asked Questions

What is the IUPAC name of Nonaethylene Glycol Nonylphenyl Ether?
The IUPAC name of Nonaethylene Glycol Nonylphenyl Ether (CID 72385) is 2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for Nonaethylene Glycol Nonylphenyl Ether?
The canonical SMILES for Nonaethylene Glycol Nonylphenyl Ether is CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO.
What is the InChIKey of Nonaethylene Glycol Nonylphenyl Ether?
The InChIKey is FBWNMEQMRUMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3.
What are the key properties of Nonaethylene Glycol Nonylphenyl Ether?
Nonaethylene Glycol Nonylphenyl Ether has a molecular weight of 616.80 g/mol, XLogP of 4.60, 35 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Nonaethylene Glycol Nonylphenyl Ether is sourced from PubChem (CID 72385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).