2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol

C26H52O5 — CID 87285415

IUPAC2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCC=COCCOCCOCCOCCO
InChIInChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h17,19,27H,2-16,18,20-26H2,1H3
InChIKeyKBQLIAMFALPELI-UHFFFAOYSA-N
MW444.70 g/mol
LogP6.43
Rot. Bonds27

About 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 87285415) has the molecular formula C26H52O5 and a molecular weight of 444.70 g/mol. Its IUPAC name is 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID87285415
Molecular FormulaC26H52O5
Molecular Weight444.70 g/mol
Exact Mass444.38
IUPAC Name2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCC=COCCOCCOCCOCCO
InChIInChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h17,19,27H,2-16,18,20-26H2,1H3
InChIKeyKBQLIAMFALPELI-UHFFFAOYSA-N
XLogP6.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(2-oct-1-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 72996883
2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 86242770
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
CID 85060270
3-octadec-1-enoxypropan-1-ol
CID 552588
2-[2-[2-[2-[5-[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-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]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]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
2-[(E)-2-[2-(2-octoxyethoxy)ethoxy]ethenoxy]ethanol
CID 42626936
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
acetic acid;2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 71341370
hexadecane;2-(2-hydroxyethoxy)ethanol
CID 87490818
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-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol (CID 87285415) is 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol is CCCCCCCCCCCCCCCCC=COCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is KBQLIAMFALPELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h17,19,27H,2-16,18,20-26H2,1H3.
What are the key properties of 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 444.70 g/mol, XLogP of 6.43, 27 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87285415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).