2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane

C18H28O5 — CID 165126969

IUPAC2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
SMILESc1ccc(COCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C18H28O5/c1-2-6-17(7-3-1)16-21-13-12-19-10-11-20-14-15-23-18-8-4-5-9-22-18/h1-3,6-7,18H,4-5,8-16H2
InChIKeyFWIYMHPUHCKATQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.78
Rot. Bonds12

About 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane

2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane (PubChem CID 165126969) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
PubChem CID165126969
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
SMILESc1ccc(COCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C18H28O5/c1-2-6-17(7-3-1)16-21-13-12-19-10-11-20-14-15-23-18-8-4-5-9-22-18/h1-3,6-7,18H,4-5,8-16H2
InChIKeyFWIYMHPUHCKATQ-UHFFFAOYSA-N
XLogP2.78
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]oxane
CID 122547467
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane (CID 165126969) is 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane is c1ccc(COCCOCCOCCOC2CCCCO2)cc1.
What is the InChIKey of 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane?
The InChIKey is FWIYMHPUHCKATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-2-6-17(7-3-1)16-21-13-12-19-10-11-20-14-15-23-18-8-4-5-9-22-18/h1-3,6-7,18H,4-5,8-16H2.
What are the key properties of 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane?
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane has a molecular weight of 324.42 g/mol, XLogP of 2.78, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane is sourced from PubChem (CID 165126969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).