3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one

C11H18O5 — CID 121451856

IUPAC3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
SMILESO=C1OCCC1OCCOC1CCCCO1
InChIInChI=1S/C11H18O5/c12-11-9(4-6-16-11)13-7-8-15-10-3-1-2-5-14-10/h9-10H,1-8H2
InChIKeyUKFQRUIOJXMOQD-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.86
Rot. Bonds5

About 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one

3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one (PubChem CID 121451856) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
PubChem CID121451856
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
SMILESO=C1OCCC1OCCOC1CCCCO1
InChIInChI=1S/C11H18O5/c12-11-9(4-6-16-11)13-7-8-15-10-3-1-2-5-14-10/h9-10H,1-8H2
InChIKeyUKFQRUIOJXMOQD-UHFFFAOYSA-N
XLogP0.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.86
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

3-[3-[3-(2-oxooxolan-3-yl)oxypropoxy]propoxy]oxolan-2-one
CID 69069985
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-(2-chloroethoxy)oxepane
CID 24977653
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
(2S)-2-(3-chloropropoxy)oxane
CID 36690971

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one?
The IUPAC name of 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one (CID 121451856) is 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one.
What is the SMILES notation for 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one?
The canonical SMILES for 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one is O=C1OCCC1OCCOC1CCCCO1.
What is the InChIKey of 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one?
The InChIKey is UKFQRUIOJXMOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c12-11-9(4-6-16-11)13-7-8-15-10-3-1-2-5-14-10/h9-10H,1-8H2.
What are the key properties of 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one?
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one has a molecular weight of 230.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one is sourced from PubChem (CID 121451856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).