2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol

C22H46O4 — CID 4639427

IUPAC2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCOCCOCCOCCO
InChIInChI=1S/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21-26-22-20-25-18-16-23/h23H,2-22H2,1H3
InChIKeyFSVRFCBLVIJHQY-UHFFFAOYSA-N
MW374.61 g/mol
LogP5.51
Rot. Bonds23

About 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol

2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol (PubChem CID 4639427) has the molecular formula C22H46O4 and a molecular weight of 374.61 g/mol. Its IUPAC name is 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
PubChem CID4639427
Molecular FormulaC22H46O4
Molecular Weight374.61 g/mol
Exact Mass374.34
IUPAC Name2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCOCCOCCOCCO
InChIInChI=1S/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21-26-22-20-25-18-16-23/h23H,2-22H2,1H3
InChIKeyFSVRFCBLVIJHQY-UHFFFAOYSA-N
XLogP5.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595729
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-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrobromide
CID 172741236
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491
sodium;2-[2-(2-dodecoxyethoxy)ethoxy]ethanol;hydride
CID 173019148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol (CID 4639427) is 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol is CCCCCCCCCCCCCCCCOCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol?
The InChIKey is FSVRFCBLVIJHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-19-21-26-22-20-25-18-16-23/h23H,2-22H2,1H3.
What are the key properties of 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol?
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol has a molecular weight of 374.61 g/mol, XLogP of 5.51, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 4639427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).