2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C48H86O13 — CID 91565565

IUPAC2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCCOCCOCCOCCO.CCc1ccccc1.OCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1
InChIInChI=1S/C22H38O9.C18H38O4.C8H10/c23-6-7-24-8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-22-4-2-1-3-5-22;1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19;1-2-8-6-4-3-5-7-8/h1-5,23H,6-21H2;19H,2-18H2,1H3;3-7H,2H2,1H3
InChIKeyUBLCJNUOCBJTRI-UHFFFAOYSA-N
MW871.20 g/mol
LogP7.37
Rot. Bonds44

About 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 91565565) has the molecular formula C48H86O13 and a molecular weight of 871.20 g/mol. Its IUPAC name is 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID91565565
Molecular FormulaC48H86O13
Molecular Weight871.20 g/mol
Exact Mass870.61
IUPAC Name2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCCOCCOCCOCCO.CCc1ccccc1.OCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1
InChIInChI=1S/C22H38O9.C18H38O4.C8H10/c23-6-7-24-8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-22-4-2-1-3-5-22;1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19;1-2-8-6-4-3-5-7-8/h1-5,23H,6-21H2;19H,2-18H2,1H3;3-7H,2H2,1H3
InChIKeyUBLCJNUOCBJTRI-UHFFFAOYSA-N
XLogP7.37
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds44
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.20
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dodecoxyethoxy)ethanol;2-(2-dodecoxyethoxy)ethoxybenzene;iodobenzene
CID 158591710
2-dodecoxyethoxybenzene
CID 67831231
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-pentoxyethoxybenzene
CID 54431229
ethane-1,2-diol;ethanol;octoxybenzene
CID 175008384
2-(2-phenoxyethoxy)ethanol
CID 7715
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
pentoxybenzene;undecane
CID 174778179
benzene;ethane;heptane;methane;2-phenoxyethanol;propane
CID 158024882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 91565565) is 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCCOCCOCCOCCO.CCc1ccccc1.OCCOCCOCCOCCOCCOCCOCCOCCOc1ccccc1.
What is the InChIKey of 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is UBLCJNUOCBJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O9.C18H38O4.C8H10/c23-6-7-24-8-9-25-10-11-26-12-13-27-14-15-28-16-17-29-18-19-30-20-21-31-22-4-2-1-3-5-22;1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19;1-2-8-6-4-3-5-7-8/h1-5,23H,6-21H2;19H,2-18H2,1H3;3-7H,2H2,1H3.
What are the key properties of 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 871.20 g/mol, XLogP of 7.37, 44 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;ethylbenzene;2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 91565565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).