1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane

C22H46O5 — CID 86197097

IUPAC1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
SMILESCCCCCCCCOCCOCCOCCOCCOCCCCCC
InChIInChI=1S/C22H46O5/c1-3-5-7-9-10-12-14-24-16-18-26-20-22-27-21-19-25-17-15-23-13-11-8-6-4-2/h3-22H2,1-2H3
InChIKeyLBFQVQWKPWVUDL-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.01
Rot. Bonds24

About 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane

1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane (PubChem CID 86197097) has the molecular formula C22H46O5 and a molecular weight of 390.61 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
PubChem CID86197097
Molecular FormulaC22H46O5
Molecular Weight390.61 g/mol
Exact Mass390.33
IUPAC Name1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
SMILESCCCCCCCCOCCOCCOCCOCCOCCCCCC
InChIInChI=1S/C22H46O5/c1-3-5-7-9-10-12-14-24-16-18-26-20-22-27-21-19-25-17-15-23-13-11-8-6-4-2/h3-22H2,1-2H3
InChIKeyLBFQVQWKPWVUDL-UHFFFAOYSA-N
XLogP5.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane?
The IUPAC name of 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane (CID 86197097) is 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane.
What is the SMILES notation for 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane?
The canonical SMILES for 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane is CCCCCCCCOCCOCCOCCOCCOCCCCCC.
What is the InChIKey of 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane?
The InChIKey is LBFQVQWKPWVUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O5/c1-3-5-7-9-10-12-14-24-16-18-26-20-22-27-21-19-25-17-15-23-13-11-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane?
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane has a molecular weight of 390.61 g/mol, XLogP of 5.01, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane is sourced from PubChem (CID 86197097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).