1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane

C16H32O4 — CID 154103874

IUPAC1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane
SMILESC=COCC(OCC)OCCOCCCCCCCC
InChIInChI=1S/C16H32O4/c1-4-7-8-9-10-11-12-18-13-14-20-16(19-6-3)15-17-5-2/h5,16H,2,4,6-15H2,1,3H3
InChIKeyGNJMMZRIBWETOF-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.90
Rot. Bonds16

About 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane

1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane (PubChem CID 154103874) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane.

Molecular Properties

Compound Name1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane
PubChem CID154103874
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane
SMILESC=COCC(OCC)OCCOCCCCCCCC
InChIInChI=1S/C16H32O4/c1-4-7-8-9-10-11-12-18-13-14-20-16(19-6-3)15-17-5-2/h5,16H,2,4,6-15H2,1,3H3
InChIKeyGNJMMZRIBWETOF-UHFFFAOYSA-N
XLogP3.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1-(1,2-diethoxyethoxy)hexane
CID 173222858
1-ethenoxytriacontane
CID 14647805
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
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-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane?
The IUPAC name of 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane (CID 154103874) is 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane.
What is the SMILES notation for 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane?
The canonical SMILES for 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane is C=COCC(OCC)OCCOCCCCCCCC.
What is the InChIKey of 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane?
The InChIKey is GNJMMZRIBWETOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-4-7-8-9-10-11-12-18-13-14-20-16(19-6-3)15-17-5-2/h5,16H,2,4,6-15H2,1,3H3.
What are the key properties of 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane?
1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane has a molecular weight of 288.43 g/mol, XLogP of 3.90, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane is sourced from PubChem (CID 154103874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).