2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol

C18H30O3 — CID 24775

IUPAC2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1
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
MW294.44 g/mol
LogP3.79
Rot. Bonds8

About 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol

2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol (PubChem CID 24775) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
PubChem CID24775
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1
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
XLogP3.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.79
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 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol (CID 24775) is 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol is CC(C)(C)CC(C)(C)c1ccc(OCCOCCO)cc1.
What is the InChIKey of 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
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 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol?
2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol has a molecular weight of 294.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 24775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).