3-ethyl-3-(1-prop-2-enoxyethyl)oxetane

C10H18O2 — CID 57180785

IUPAC3-ethyl-3-(1-prop-2-enoxyethyl)oxetane
SMILESC=CCOC(C)C1(CC)COC1
InChIInChI=1S/C10H18O2/c1-4-6-12-9(3)10(5-2)7-11-8-10/h4,9H,1,5-8H2,2-3H3
InChIKeyYQCCPMMXWAXTPP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.00
Rot. Bonds5

About 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane

3-ethyl-3-(1-prop-2-enoxyethyl)oxetane (PubChem CID 57180785) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(1-prop-2-enoxyethyl)oxetane
PubChem CID57180785
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-3-(1-prop-2-enoxyethyl)oxetane
SMILESC=CCOC(C)C1(CC)COC1
InChIInChI=1S/C10H18O2/c1-4-6-12-9(3)10(5-2)7-11-8-10/h4,9H,1,5-8H2,2-3H3
InChIKeyYQCCPMMXWAXTPP-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane?
The IUPAC name of 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane (CID 57180785) is 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane is C=CCOC(C)C1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane?
The InChIKey is YQCCPMMXWAXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-12-9(3)10(5-2)7-11-8-10/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 3-ethyl-3-(1-prop-2-enoxyethyl)oxetane?
3-ethyl-3-(1-prop-2-enoxyethyl)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-(1-prop-2-enoxyethyl)oxetane is sourced from PubChem (CID 57180785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).