3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane

C10H18O2 — CID 141251202

IUPAC3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane
SMILESC=CCOCC1OCC1(C)CC
InChIInChI=1S/C10H18O2/c1-4-6-11-7-9-10(3,5-2)8-12-9/h4,9H,1,5-8H2,2-3H3
InChIKeyPGGMYRZCGVHHQH-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds5

About 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane

3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane (PubChem CID 141251202) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane
PubChem CID141251202
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane
SMILESC=CCOCC1OCC1(C)CC
InChIInChI=1S/C10H18O2/c1-4-6-11-7-9-10(3,5-2)8-12-9/h4,9H,1,5-8H2,2-3H3
InChIKeyPGGMYRZCGVHHQH-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane (CID 141251202) is 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane is C=CCOCC1OCC1(C)CC.
What is the InChIKey of 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane?
The InChIKey is PGGMYRZCGVHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-11-7-9-10(3,5-2)8-12-9/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane?
3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane has a molecular weight of 170.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane is sourced from PubChem (CID 141251202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).