3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane

C11H20O2 — CID 176603222

IUPAC3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane
SMILESC/C=C/OCCCC1(CC)COC1
InChIInChI=1S/C11H20O2/c1-3-7-12-8-5-6-11(4-2)9-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyLTHHULYLZFACSU-XVNBXDOJSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds6

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

3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane (PubChem CID 176603222) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane
PubChem CID176603222
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane
SMILESC/C=C/OCCCC1(CC)COC1
InChIInChI=1S/C11H20O2/c1-3-7-12-8-5-6-11(4-2)9-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyLTHHULYLZFACSU-XVNBXDOJSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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'}

Analyze 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Ethenoxypropyl)-3-ethyloxetane
CID 140130461
3-(3-Ethenoxypropyl)-3-propyloxetane
CID 140130462
3-Ethyl-3-(2-prop-1-enoxyethyl)oxetane
CID 149734533
3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
3-[3-[(E)-prop-1-enoxy]propyl]oxetane
CID 176603963
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
CID 176604781
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605133

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
The IUPAC name of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane (CID 176603222) is 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
The canonical SMILES for 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane is C/C=C/OCCCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
The InChIKey is LTHHULYLZFACSU-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-12-8-5-6-11(4-2)9-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+.
What are the key properties of 3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane?
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxetane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 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-[(E)-prop-1-enoxy]propyl]oxetane is sourced from PubChem (CID 176603222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).