1-(2-ethoxyethoxy)octane

C12H25O2- — CID 138454281

IUPAC1-(2-ethoxyethoxy)octane
SMILES[CH2-]COCCOCCCCCCCC
InChIInChI=1S/C12H25O2/c1-3-5-6-7-8-9-10-14-12-11-13-4-2/h2-12H2,1H3/q-1
InChIKeyBWGUNWUXIXPWCK-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.21
Rot. Bonds11

About 1-(2-ethoxyethoxy)octane

1-(2-ethoxyethoxy)octane (PubChem CID 138454281) has the molecular formula C12H25O2- and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)octane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)octane
PubChem CID138454281
Molecular FormulaC12H25O2-
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name1-(2-ethoxyethoxy)octane
SMILES[CH2-]COCCOCCCCCCCC
InChIInChI=1S/C12H25O2/c1-3-5-6-7-8-9-10-14-12-11-13-4-2/h2-12H2,1H3/q-1
InChIKeyBWGUNWUXIXPWCK-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)octane?
The IUPAC name of 1-(2-ethoxyethoxy)octane (CID 138454281) is 1-(2-ethoxyethoxy)octane.
What is the SMILES notation for 1-(2-ethoxyethoxy)octane?
The canonical SMILES for 1-(2-ethoxyethoxy)octane is [CH2-]COCCOCCCCCCCC.
What is the InChIKey of 1-(2-ethoxyethoxy)octane?
The InChIKey is BWGUNWUXIXPWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O2/c1-3-5-6-7-8-9-10-14-12-11-13-4-2/h2-12H2,1H3/q-1.
What are the key properties of 1-(2-ethoxyethoxy)octane?
1-(2-ethoxyethoxy)octane has a molecular weight of 201.33 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)octane is sourced from PubChem (CID 138454281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).