1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane

C22H46O6 — CID 150797704

IUPAC1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
SMILESCCCCCCCOCCOCCOCCOCCOCCOCCCCC
InChIInChI=1S/C22H46O6/c1-3-5-7-8-10-12-24-14-16-26-18-20-28-22-21-27-19-17-25-15-13-23-11-9-6-4-2/h3-22H2,1-2H3
InChIKeyKFEQOJHEJXAGTG-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.25
Rot. Bonds25

About 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane

1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane (PubChem CID 150797704) has the molecular formula C22H46O6 and a molecular weight of 406.60 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
PubChem CID150797704
Molecular FormulaC22H46O6
Molecular Weight406.60 g/mol
Exact Mass406.33
IUPAC Name1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
SMILESCCCCCCCOCCOCCOCCOCCOCCOCCCCC
InChIInChI=1S/C22H46O6/c1-3-5-7-8-10-12-24-14-16-26-18-20-28-22-21-27-19-17-25-15-13-23-11-9-6-4-2/h3-22H2,1-2H3
InChIKeyKFEQOJHEJXAGTG-UHFFFAOYSA-N
XLogP4.25
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
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-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane?
The IUPAC name of 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane (CID 150797704) is 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane?
The canonical SMILES for 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane is CCCCCCCOCCOCCOCCOCCOCCOCCCCC.
What is the InChIKey of 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane?
The InChIKey is KFEQOJHEJXAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O6/c1-3-5-7-8-10-12-24-14-16-26-18-20-28-22-21-27-19-17-25-15-13-23-11-9-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane?
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane has a molecular weight of 406.60 g/mol, XLogP of 4.25, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane is sourced from PubChem (CID 150797704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).