3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane

C8H14O2 — CID 73013312

IUPAC3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane
SMILESC=C(C)OCC1(C)COC1
InChIInChI=1S/C8H14O2/c1-7(2)10-6-8(3)4-9-5-8/h1,4-6H2,2-3H3
InChIKeyXVDSGUTUIXKBOD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane

3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane (PubChem CID 73013312) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane
PubChem CID73013312
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane
SMILESC=C(C)OCC1(C)COC1
InChIInChI=1S/C8H14O2/c1-7(2)10-6-8(3)4-9-5-8/h1,4-6H2,2-3H3
InChIKeyXVDSGUTUIXKBOD-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane (CID 73013312) is 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane is C=C(C)OCC1(C)COC1.
What is the InChIKey of 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane?
The InChIKey is XVDSGUTUIXKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)10-6-8(3)4-9-5-8/h1,4-6H2,2-3H3.
What are the key properties of 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane?
3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(prop-1-en-2-yloxymethyl)oxetane is sourced from PubChem (CID 73013312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).