1-(2-ethenoxy-2-ethoxyethoxy)propane

C9H18O3 — CID 87747539

IUPAC1-(2-ethenoxy-2-ethoxyethoxy)propane
SMILESC=COC(COCCC)OCC
InChIInChI=1S/C9H18O3/c1-4-7-10-8-9(11-5-2)12-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyNLQAOXHVSXPXPR-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.94
Rot. Bonds8

About 1-(2-ethenoxy-2-ethoxyethoxy)propane

1-(2-ethenoxy-2-ethoxyethoxy)propane (PubChem CID 87747539) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2-ethenoxy-2-ethoxyethoxy)propane.

Molecular Properties

Compound Name1-(2-ethenoxy-2-ethoxyethoxy)propane
PubChem CID87747539
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(2-ethenoxy-2-ethoxyethoxy)propane
SMILESC=COC(COCCC)OCC
InChIInChI=1S/C9H18O3/c1-4-7-10-8-9(11-5-2)12-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyNLQAOXHVSXPXPR-UHFFFAOYSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxy-2-ethoxyethoxy)propane?
The IUPAC name of 1-(2-ethenoxy-2-ethoxyethoxy)propane (CID 87747539) is 1-(2-ethenoxy-2-ethoxyethoxy)propane.
What is the SMILES notation for 1-(2-ethenoxy-2-ethoxyethoxy)propane?
The canonical SMILES for 1-(2-ethenoxy-2-ethoxyethoxy)propane is C=COC(COCCC)OCC.
What is the InChIKey of 1-(2-ethenoxy-2-ethoxyethoxy)propane?
The InChIKey is NLQAOXHVSXPXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7-10-8-9(11-5-2)12-6-3/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 1-(2-ethenoxy-2-ethoxyethoxy)propane?
1-(2-ethenoxy-2-ethoxyethoxy)propane has a molecular weight of 174.24 g/mol, XLogP of 1.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxy-2-ethoxyethoxy)propane is sourced from PubChem (CID 87747539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).