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

C7H12O2 — CID 176604949

IUPAC3-[[(E)-prop-1-enoxy]methyl]oxetane
SMILESC/C=C/OCC1COC1
InChIInChI=1S/C7H12O2/c1-2-3-8-4-7-5-9-6-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyLRQFTCMCYHIGFA-NSCUHMNNSA-N
MW128.17 g/mol
LogP1.18
Rot. Bonds3

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

3-[[(E)-prop-1-enoxy]methyl]oxetane (PubChem CID 176604949) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-[[(E)-prop-1-enoxy]methyl]oxetane.

Molecular Properties

Compound Name3-[[(E)-prop-1-enoxy]methyl]oxetane
PubChem CID176604949
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-[[(E)-prop-1-enoxy]methyl]oxetane
SMILESC/C=C/OCC1COC1
InChIInChI=1S/C7H12O2/c1-2-3-8-4-7-5-9-6-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyLRQFTCMCYHIGFA-NSCUHMNNSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.18
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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Related Compounds

1-Propene, 1-(2-methylpropoxy)-
CID 140156
cis-1-Propenyl isobutyl ether
CID 5462934
2,2,4-Trifluoro-3-(prop-1-enoxymethyl)oxetane
CID 151124201
2,2-Difluoro-3-(prop-1-enoxymethyl)oxetane
CID 151448971
2,2,4,4-Tetrafluoro-3-(prop-1-enoxymethyl)oxetane
CID 151493671
Ether, isobutyl propenyl, (E)-
CID 5462823
2-Methyl-1,3-bis(prop-1-enoxy)propane
CID 139984965
3-(Prop-1-enoxymethyl)oxetane
CID 150988666
3-Methyl-3-(prop-1-enoxymethyl)oxetane
CID 154236693
3-(2-Methylprop-1-enoxymethyl)oxetane
CID 176603143
3-methyl-3-[[(E)-prop-1-enoxy]methyl]oxetane
CID 176604164
3-[1-[(E)-prop-1-enoxy]ethyl]oxetane
CID 176605159

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]oxetane?
The IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]oxetane (CID 176604949) is 3-[[(E)-prop-1-enoxy]methyl]oxetane.
What is the SMILES notation for 3-[[(E)-prop-1-enoxy]methyl]oxetane?
The canonical SMILES for 3-[[(E)-prop-1-enoxy]methyl]oxetane is C/C=C/OCC1COC1.
What is the InChIKey of 3-[[(E)-prop-1-enoxy]methyl]oxetane?
The InChIKey is LRQFTCMCYHIGFA-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-8-4-7-5-9-6-7/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of 3-[[(E)-prop-1-enoxy]methyl]oxetane?
3-[[(E)-prop-1-enoxy]methyl]oxetane has a molecular weight of 128.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-prop-1-enoxy]methyl]oxetane is sourced from PubChem (CID 176604949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).