3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane

C8H14O2 — CID 176604164

IUPAC3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
SMILESC/C=C/OCC1(C)COC1
InChIInChI=1S/C8H14O2/c1-3-4-9-5-8(2)6-10-7-8/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeyUDSVVZMWHCSAKC-ONEGZZNKSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane

3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane (PubChem CID 176604164) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane.

Molecular Properties

Compound Name3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
PubChem CID176604164
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
SMILESC/C=C/OCC1(C)COC1
InChIInChI=1S/C8H14O2/c1-3-4-9-5-8(2)6-10-7-8/h3-4H,5-7H2,1-2H3/b4-3+
InChIKeyUDSVVZMWHCSAKC-ONEGZZNKSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
The IUPAC name of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane (CID 176604164) is 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane.
What is the SMILES notation for 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
The canonical SMILES for 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane is C/C=C/OCC1(C)COC1.
What is the InChIKey of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
The InChIKey is UDSVVZMWHCSAKC-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-9-5-8(2)6-10-7-8/h3-4H,5-7H2,1-2H3/b4-3+.
What are the key properties of 3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane?
3-methyl-3-[[(E)-prop-1-enoxy]methyl]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-[[(E)-prop-1-enoxy]methyl]oxetane is sourced from PubChem (CID 176604164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).