1-(2-decoxyethoxy)decane

C22H46O2 — CID 14009354

IUPAC1-(2-decoxyethoxy)decane
SMILESCCCCCCCCCCOCCOCCCCCCCCCC
InChIInChI=1S/C22H46O2/c1-3-5-7-9-11-13-15-17-19-23-21-22-24-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyHOPNGFMODYIPJK-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.30
Rot. Bonds21

About 1-(2-decoxyethoxy)decane

1-(2-decoxyethoxy)decane (PubChem CID 14009354) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 1-(2-decoxyethoxy)decane.

Molecular Properties

Compound Name1-(2-decoxyethoxy)decane
PubChem CID14009354
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Name1-(2-decoxyethoxy)decane
SMILESCCCCCCCCCCOCCOCCCCCCCCCC
InChIInChI=1S/C22H46O2/c1-3-5-7-9-11-13-15-17-19-23-21-22-24-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyHOPNGFMODYIPJK-UHFFFAOYSA-N
XLogP7.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-nonoxyethoxy)nonane
CID 87982931
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of 1-(2-decoxyethoxy)decane?
The IUPAC name of 1-(2-decoxyethoxy)decane (CID 14009354) is 1-(2-decoxyethoxy)decane.
What is the SMILES notation for 1-(2-decoxyethoxy)decane?
The canonical SMILES for 1-(2-decoxyethoxy)decane is CCCCCCCCCCOCCOCCCCCCCCCC.
What is the InChIKey of 1-(2-decoxyethoxy)decane?
The InChIKey is HOPNGFMODYIPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2/c1-3-5-7-9-11-13-15-17-19-23-21-22-24-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1-(2-decoxyethoxy)decane?
1-(2-decoxyethoxy)decane has a molecular weight of 342.61 g/mol, XLogP of 7.30, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decoxyethoxy)decane is sourced from PubChem (CID 14009354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).