2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid

C20H36O8S — CID 172695363

IUPAC2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
SMILESCCCCCCCCc1ccccc1OCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C20H34O4.H2O4S/c1-2-3-4-5-6-7-10-19-11-8-9-12-20(19)24-18-17-23-16-15-22-14-13-21;1-5(2,3)4/h8-9,11-12,21H,2-7,10,13-18H2,1H3;(H2,1,2,3,4)
InChIKeyCGCDZGADAMQYQZ-UHFFFAOYSA-N
MW436.57 g/mol
LogP3.34
Rot. Bonds16

About 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid

2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid (PubChem CID 172695363) has the molecular formula C20H36O8S and a molecular weight of 436.57 g/mol. Its IUPAC name is 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid.

Molecular Properties

Compound Name2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
PubChem CID172695363
Molecular FormulaC20H36O8S
Molecular Weight436.57 g/mol
Exact Mass436.21
IUPAC Name2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
SMILESCCCCCCCCc1ccccc1OCCOCCOCCO.O=S(=O)(O)O
InChIInChI=1S/C20H34O4.H2O4S/c1-2-3-4-5-6-7-10-19-11-8-9-12-20(19)24-18-17-23-16-15-22-14-13-21;1-5(2,3)4/h8-9,11-12,21H,2-7,10,13-18H2,1H3;(H2,1,2,3,4)
InChIKeyCGCDZGADAMQYQZ-UHFFFAOYSA-N
XLogP3.34
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', '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
sodium;hydride;2-[2-(2-nonylphenoxy)ethoxy]ethyl hydrogen sulfate
CID 173325044
2-(2-dodecylphenoxy)ethanol
CID 14475097
sodium 2-[2-(2-nonylphenoxy)ethoxy]ethyl sulfate
CID 161424912
2-[2-(2-nonylphenoxy)ethoxy]ethyl octadecanoate
CID 3023197
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
azane;1-nonyl-2-(2-nonylphenoxy)benzene;sulfuric acid
CID 172996794
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-(2-hydroxyethoxy)ethoxy]ethoxy]-1-(2-nonylphenoxy)ethanol
CID 21315702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
The IUPAC name of 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid (CID 172695363) is 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid.
What is the SMILES notation for 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
The canonical SMILES for 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid is CCCCCCCCc1ccccc1OCCOCCOCCO.O=S(=O)(O)O.
What is the InChIKey of 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
The InChIKey is CGCDZGADAMQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4.H2O4S/c1-2-3-4-5-6-7-10-19-11-8-9-12-20(19)24-18-17-23-16-15-22-14-13-21;1-5(2,3)4/h8-9,11-12,21H,2-7,10,13-18H2,1H3;(H2,1,2,3,4).
What are the key properties of 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid?
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid has a molecular weight of 436.57 g/mol, XLogP of 3.34, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid is sourced from PubChem (CID 172695363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).