3-ethyl-3-(prop-2-ynoxymethyl)oxetane

C9H14O2 — CID 102192429

IUPAC3-ethyl-3-(prop-2-ynoxymethyl)oxetane
SMILESC#CCOCC1(CC)COC1
InChIInChI=1S/C9H14O2/c1-3-5-10-6-9(4-2)7-11-8-9/h1H,4-8H2,2H3
InChIKeySHACJVNOCZTFAP-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds4

About 3-ethyl-3-(prop-2-ynoxymethyl)oxetane

3-ethyl-3-(prop-2-ynoxymethyl)oxetane (PubChem CID 102192429) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-ethyl-3-(prop-2-ynoxymethyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(prop-2-ynoxymethyl)oxetane
PubChem CID102192429
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-ethyl-3-(prop-2-ynoxymethyl)oxetane
SMILESC#CCOCC1(CC)COC1
InChIInChI=1S/C9H14O2/c1-3-5-10-6-9(4-2)7-11-8-9/h1H,4-8H2,2H3
InChIKeySHACJVNOCZTFAP-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(prop-2-ynoxymethyl)oxetane?
The IUPAC name of 3-ethyl-3-(prop-2-ynoxymethyl)oxetane (CID 102192429) is 3-ethyl-3-(prop-2-ynoxymethyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(prop-2-ynoxymethyl)oxetane?
The canonical SMILES for 3-ethyl-3-(prop-2-ynoxymethyl)oxetane is C#CCOCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(prop-2-ynoxymethyl)oxetane?
The InChIKey is SHACJVNOCZTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-10-6-9(4-2)7-11-8-9/h1H,4-8H2,2H3.
What are the key properties of 3-ethyl-3-(prop-2-ynoxymethyl)oxetane?
3-ethyl-3-(prop-2-ynoxymethyl)oxetane has a molecular weight of 154.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(prop-2-ynoxymethyl)oxetane is sourced from PubChem (CID 102192429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).