3-(3-ethylhexoxymethyl)oxetane

C12H24O2 — CID 67047519

IUPAC3-(3-ethylhexoxymethyl)oxetane
SMILESCCCC(CC)CCOCC1COC1
InChIInChI=1S/C12H24O2/c1-3-5-11(4-2)6-7-13-8-12-9-14-10-12/h11-12H,3-10H2,1-2H3
InChIKeyVGPALMFNWXLTFS-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.87
Rot. Bonds8

About 3-(3-ethylhexoxymethyl)oxetane

3-(3-ethylhexoxymethyl)oxetane (PubChem CID 67047519) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-(3-ethylhexoxymethyl)oxetane.

Molecular Properties

Compound Name3-(3-ethylhexoxymethyl)oxetane
PubChem CID67047519
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-(3-ethylhexoxymethyl)oxetane
SMILESCCCC(CC)CCOCC1COC1
InChIInChI=1S/C12H24O2/c1-3-5-11(4-2)6-7-13-8-12-9-14-10-12/h11-12H,3-10H2,1-2H3
InChIKeyVGPALMFNWXLTFS-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-ethylhexoxymethyl)oxetane?
The IUPAC name of 3-(3-ethylhexoxymethyl)oxetane (CID 67047519) is 3-(3-ethylhexoxymethyl)oxetane.
What is the SMILES notation for 3-(3-ethylhexoxymethyl)oxetane?
The canonical SMILES for 3-(3-ethylhexoxymethyl)oxetane is CCCC(CC)CCOCC1COC1.
What is the InChIKey of 3-(3-ethylhexoxymethyl)oxetane?
The InChIKey is VGPALMFNWXLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-11(4-2)6-7-13-8-12-9-14-10-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(3-ethylhexoxymethyl)oxetane?
3-(3-ethylhexoxymethyl)oxetane has a molecular weight of 200.32 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylhexoxymethyl)oxetane is sourced from PubChem (CID 67047519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).