2-ethyl-3-(hexoxymethyl)oxetane

C12H24O2 — CID 141321228

IUPAC2-ethyl-3-(hexoxymethyl)oxetane
SMILESCCCCCCOCC1COC1CC
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-13-9-11-10-14-12(11)4-2/h11-12H,3-10H2,1-2H3
InChIKeyYBRRSBLBHXYPNX-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.01
Rot. Bonds8

About 2-ethyl-3-(hexoxymethyl)oxetane

2-ethyl-3-(hexoxymethyl)oxetane (PubChem CID 141321228) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-ethyl-3-(hexoxymethyl)oxetane.

Molecular Properties

Compound Name2-ethyl-3-(hexoxymethyl)oxetane
PubChem CID141321228
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-ethyl-3-(hexoxymethyl)oxetane
SMILESCCCCCCOCC1COC1CC
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-13-9-11-10-14-12(11)4-2/h11-12H,3-10H2,1-2H3
InChIKeyYBRRSBLBHXYPNX-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-(hexoxymethyl)oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-[4-[(3-ethyloxetan-2-yl)methoxy]butoxymethyl]oxetane
CID 18705345
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
CID 132525337
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
(2S,3R)-2-(butoxymethyl)oxetan-3-amine
CID 90365743
2-methyloxirane;1-octadecoxyoctadecane
CID 88807513

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(hexoxymethyl)oxetane?
The IUPAC name of 2-ethyl-3-(hexoxymethyl)oxetane (CID 141321228) is 2-ethyl-3-(hexoxymethyl)oxetane.
What is the SMILES notation for 2-ethyl-3-(hexoxymethyl)oxetane?
The canonical SMILES for 2-ethyl-3-(hexoxymethyl)oxetane is CCCCCCOCC1COC1CC.
What is the InChIKey of 2-ethyl-3-(hexoxymethyl)oxetane?
The InChIKey is YBRRSBLBHXYPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-6-7-8-13-9-11-10-14-12(11)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-3-(hexoxymethyl)oxetane?
2-ethyl-3-(hexoxymethyl)oxetane has a molecular weight of 200.32 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(hexoxymethyl)oxetane is sourced from PubChem (CID 141321228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).