2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane

C14H20O4 — CID 66472542

IUPAC2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
SMILESc1ccc(OCCOCCC2OCCCO2)cc1
InChIInChI=1S/C14H20O4/c1-2-5-13(6-3-1)16-12-11-15-10-7-14-17-8-4-9-18-14/h1-3,5-6,14H,4,7-12H2
InChIKeyWPEAHVPOGHKKHD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.24
Rot. Bonds7

About 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane

2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane (PubChem CID 66472542) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
PubChem CID66472542
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
SMILESc1ccc(OCCOCCC2OCCCO2)cc1
InChIInChI=1S/C14H20O4/c1-2-5-13(6-3-1)16-12-11-15-10-7-14-17-8-4-9-18-14/h1-3,5-6,14H,4,7-12H2
InChIKeyWPEAHVPOGHKKHD-UHFFFAOYSA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane (CID 66472542) is 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane is c1ccc(OCCOCCC2OCCCO2)cc1.
What is the InChIKey of 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane?
The InChIKey is WPEAHVPOGHKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-5-13(6-3-1)16-12-11-15-10-7-14-17-8-4-9-18-14/h1-3,5-6,14H,4,7-12H2.
What are the key properties of 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane?
2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane has a molecular weight of 252.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66472542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).