3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene

C9H18O3 — CID 54364351

IUPAC3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene
SMILESC=CCOCCOCCOCC
InChIInChI=1S/C9H18O3/c1-3-5-11-8-9-12-7-6-10-4-2/h3H,1,4-9H2,2H3
InChIKeyDGNGOBMIJDHHSS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.24
Rot. Bonds9

About 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene

3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene (PubChem CID 54364351) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene
PubChem CID54364351
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene
SMILESC=CCOCCOCCOCC
InChIInChI=1S/C9H18O3/c1-3-5-11-8-9-12-7-6-10-4-2/h3H,1,4-9H2,2H3
InChIKeyDGNGOBMIJDHHSS-UHFFFAOYSA-N
XLogP1.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene (CID 54364351) is 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene is C=CCOCCOCCOCC.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
The InChIKey is DGNGOBMIJDHHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-5-11-8-9-12-7-6-10-4-2/h3H,1,4-9H2,2H3.
What are the key properties of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene has a molecular weight of 174.24 g/mol, XLogP of 1.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 54364351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).