3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane

C15H28O4 — CID 141308646

IUPAC3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane
SMILESCCC1COC1COCCCOCC1OCC1CC
InChIInChI=1S/C15H28O4/c1-3-12-8-18-14(12)10-16-6-5-7-17-11-15-13(4-2)9-19-15/h12-15H,3-11H2,1-2H3
InChIKeyNIBBFFLZEBKXNV-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.26
Rot. Bonds10

About 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane

3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane (PubChem CID 141308646) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane
PubChem CID141308646
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane
SMILESCCC1COC1COCCCOCC1OCC1CC
InChIInChI=1S/C15H28O4/c1-3-12-8-18-14(12)10-16-6-5-7-17-11-15-13(4-2)9-19-15/h12-15H,3-11H2,1-2H3
InChIKeyNIBBFFLZEBKXNV-UHFFFAOYSA-N
XLogP2.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.26
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 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane?
The IUPAC name of 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane (CID 141308646) is 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane is CCC1COC1COCCCOCC1OCC1CC.
What is the InChIKey of 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane?
The InChIKey is NIBBFFLZEBKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-12-8-18-14(12)10-16-6-5-7-17-11-15-13(4-2)9-19-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane?
3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane has a molecular weight of 272.38 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-[(3-ethyloxetan-2-yl)methoxy]propoxymethyl]oxetane is sourced from PubChem (CID 141308646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).