4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane

C11H20O2 — CID 176603194

IUPAC4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(CC)CCOCC1
InChIInChI=1S/C11H20O2/c1-3-7-13-10-11(4-2)5-8-12-9-6-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyDVYQCFCOOMJRGJ-XVNBXDOJSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

About 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane

4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 176603194) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID176603194
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(CC)CCOCC1
InChIInChI=1S/C11H20O2/c1-3-7-13-10-11(4-2)5-8-12-9-6-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyDVYQCFCOOMJRGJ-XVNBXDOJSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane (CID 176603194) is 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1(CC)CCOCC1.
What is the InChIKey of 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is DVYQCFCOOMJRGJ-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-13-10-11(4-2)5-8-12-9-6-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+.
What are the key properties of 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane?
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane is sourced from PubChem (CID 176603194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).