1-(2-octoxyethoxy)octane

C18H38O2 — CID 12711862

IUPAC1-(2-octoxyethoxy)octane
SMILESCCCCCCCCOCCOCCCCCCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-19-17-18-20-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeySJMBETQHZHCXGR-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.74
Rot. Bonds17

About 1-(2-octoxyethoxy)octane

1-(2-octoxyethoxy)octane (PubChem CID 12711862) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-(2-octoxyethoxy)octane.

Molecular Properties

Compound Name1-(2-octoxyethoxy)octane
PubChem CID12711862
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-(2-octoxyethoxy)octane
SMILESCCCCCCCCOCCOCCCCCCCC
InChIInChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-19-17-18-20-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeySJMBETQHZHCXGR-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.74
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-[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-octoxyethoxy)octane?
The IUPAC name of 1-(2-octoxyethoxy)octane (CID 12711862) is 1-(2-octoxyethoxy)octane.
What is the SMILES notation for 1-(2-octoxyethoxy)octane?
The canonical SMILES for 1-(2-octoxyethoxy)octane is CCCCCCCCOCCOCCCCCCCC.
What is the InChIKey of 1-(2-octoxyethoxy)octane?
The InChIKey is SJMBETQHZHCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-5-7-9-11-13-15-19-17-18-20-16-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 1-(2-octoxyethoxy)octane?
1-(2-octoxyethoxy)octane has a molecular weight of 286.50 g/mol, XLogP of 5.74, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octoxyethoxy)octane is sourced from PubChem (CID 12711862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).