2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol

C21H44O5 — CID 158422063

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
SMILESCCCCCCCCCCCCCCCOC(O)COCCOCCO
InChIInChI=1S/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-26-21(23)20-25-19-18-24-17-15-22/h21-23H,2-20H2,1H3
InChIKeyFIPJIAHYUDLIAF-UHFFFAOYSA-N
MW376.58 g/mol
LogP4.44
Rot. Bonds22

About 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol

2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol (PubChem CID 158422063) has the molecular formula C21H44O5 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
PubChem CID158422063
Molecular FormulaC21H44O5
Molecular Weight376.58 g/mol
Exact Mass376.32
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
SMILESCCCCCCCCCCCCCCCOC(O)COCCOCCO
InChIInChI=1S/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-26-21(23)20-25-19-18-24-17-15-22/h21-23H,2-20H2,1H3
InChIKeyFIPJIAHYUDLIAF-UHFFFAOYSA-N
XLogP4.44
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88724515
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87238952
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
CID 172703318
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol (CID 158422063) is 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol is CCCCCCCCCCCCCCCOC(O)COCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol?
The InChIKey is FIPJIAHYUDLIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-26-21(23)20-25-19-18-24-17-15-22/h21-23H,2-20H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol?
2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol has a molecular weight of 376.58 g/mol, XLogP of 4.44, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol is sourced from PubChem (CID 158422063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).