Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)

C18H30O3 — CID 24775

IUPAC2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO
InChIInChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
InChIKeyLBCZOTMMGHGTPH-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.50
Rot. Bonds9

About Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)

Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1) (PubChem CID 24775) has the molecular formula C18H30O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound NamePoly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
PubChem CID24775
Molecular FormulaC18H30O3
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO
InChIInChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
InChIKeyLBCZOTMMGHGTPH-UHFFFAOYSA-N
XLogP4.50
TPSA38.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity273

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mephenesin
CID 4059
Bisphenol A diglycidyl ether
CID 2286
Propargite
CID 4936
Etofenprox
CID 71245
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
Aramite
CID 8809
Bisphenol A diglycidyl ether dimethacrylate
CID 15284
p-tert-Butylphenyl glycidyl ether
CID 18360
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
4-Methoxyphenethyl alcohol
CID 69705

Frequently Asked Questions

What is the IUPAC name of Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)?
The IUPAC name of Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1) (CID 24775) is 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)?
The canonical SMILES for Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1) is CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO.
What is the InChIKey of Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)?
The InChIKey is LBCZOTMMGHGTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3.
What are the key properties of Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)?
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1) has a molecular weight of 294.40 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1) is sourced from PubChem (CID 24775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).