3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane

C12H22O2 — CID 176604781

IUPAC3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
SMILESCCC1(CCCOC=C(C)C)COC1
InChIInChI=1S/C12H22O2/c1-4-12(9-14-10-12)6-5-7-13-8-11(2)3/h8H,4-7,9-10H2,1-3H3
InChIKeyJNRUPHGLRODXKT-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds6

About 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane

3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane (PubChem CID 176604781) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
PubChem CID176604781
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
SMILESCCC1(CCCOC=C(C)C)COC1
InChIInChI=1S/C12H22O2/c1-4-12(9-14-10-12)6-5-7-13-8-11(2)3/h8H,4-7,9-10H2,1-3H3
InChIKeyJNRUPHGLRODXKT-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Ethenoxypropyl)-3-ethyloxetane
CID 140130461
3-Ethyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150120426
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane
CID 176603222
3-[3-(2-Methylprop-1-enoxy)propyl]oxetane
CID 176603225
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxetane
CID 176603255
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxetane
CID 176603948
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxane
CID 176605354

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
The IUPAC name of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane (CID 176604781) is 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
The canonical SMILES for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane is CCC1(CCCOC=C(C)C)COC1.
What is the InChIKey of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
The InChIKey is JNRUPHGLRODXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-12(9-14-10-12)6-5-7-13-8-11(2)3/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane?
3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane is sourced from PubChem (CID 176604781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).