3-ethyl-2-(propoxymethyl)oxetane

C9H18O2 — CID 141081763

IUPAC3-ethyl-2-(propoxymethyl)oxetane
SMILESCCCOCC1OCC1CC
InChIInChI=1S/C9H18O2/c1-3-5-10-7-9-8(4-2)6-11-9/h8-9H,3-7H2,1-2H3
InChIKeyMAANQTCLBJAAHC-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds5

About 3-ethyl-2-(propoxymethyl)oxetane

3-ethyl-2-(propoxymethyl)oxetane (PubChem CID 141081763) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-ethyl-2-(propoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-2-(propoxymethyl)oxetane
PubChem CID141081763
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-ethyl-2-(propoxymethyl)oxetane
SMILESCCCOCC1OCC1CC
InChIInChI=1S/C9H18O2/c1-3-5-10-7-9-8(4-2)6-11-9/h8-9H,3-7H2,1-2H3
InChIKeyMAANQTCLBJAAHC-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
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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Related Compounds

Bis(3-ethyloxetanylmethyl) ether
CID 68654288
2-(1-Propoxyethyl)oxetane
CID 91472389
2-Butan-2-yl-3-methoxyoxetane
CID 124021981
3-Methyl-2-(propoxymethyl)oxetane
CID 140008577
3-Ethoxy-4-methyloxane
CID 142658101
3-Butoxy-3-ethyl-2-methyloxetane
CID 154268058
2-(Ethoxymethyl)-3-ethyloxetane
CID 155147470
2-Ethyl-2-(methoxymethyl)oxetane
CID 174494138
3-Ethyl-2-(2-methylpropoxymethyl)oxetane
CID 174848263
2-(2-Methylpropoxymethyl)oxetane
CID 175372436
2-(2-Methoxybutan-2-yl)oxetane
CID 175476646
3-Methyl-2-(pentoxymethyl)oxetane
CID 172761851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(propoxymethyl)oxetane?
The IUPAC name of 3-ethyl-2-(propoxymethyl)oxetane (CID 141081763) is 3-ethyl-2-(propoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-2-(propoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-2-(propoxymethyl)oxetane is CCCOCC1OCC1CC.
What is the InChIKey of 3-ethyl-2-(propoxymethyl)oxetane?
The InChIKey is MAANQTCLBJAAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-5-10-7-9-8(4-2)6-11-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-2-(propoxymethyl)oxetane?
3-ethyl-2-(propoxymethyl)oxetane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(propoxymethyl)oxetane is sourced from PubChem (CID 141081763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).