3-[1-(2-methylprop-1-enoxy)ethyl]oxane

C11H20O2 — CID 176603720

IUPAC3-[1-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COC(C)C1CCCOC1
InChIInChI=1S/C11H20O2/c1-9(2)7-13-10(3)11-5-4-6-12-8-11/h7,10-11H,4-6,8H2,1-3H3
InChIKeyZSDPECNQKULLIO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds3

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

3-[1-(2-methylprop-1-enoxy)ethyl]oxane (PubChem CID 176603720) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[1-(2-methylprop-1-enoxy)ethyl]oxane.

Molecular Properties

Compound Name3-[1-(2-methylprop-1-enoxy)ethyl]oxane
PubChem CID176603720
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-[1-(2-methylprop-1-enoxy)ethyl]oxane
SMILESCC(C)=COC(C)C1CCCOC1
InChIInChI=1S/C11H20O2/c1-9(2)7-13-10(3)11-5-4-6-12-8-11/h7,10-11H,4-6,8H2,1-3H3
InChIKeyZSDPECNQKULLIO-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 3-[1-(2-methylprop-1-enoxy)ethyl]oxane 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-Ethyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151866383
3-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176602951
3-(1-Ethenoxyethyl)oxane
CID 176602989
3-[1-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603527
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
3-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176604413
3-(2-Methylprop-1-enoxymethyl)oxane
CID 176605197
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxane
CID 176605354
3-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176605391
3-(1-Methoxyethyl)-4-methylideneoxane
CID 13227833

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]oxane?
The IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]oxane (CID 176603720) is 3-[1-(2-methylprop-1-enoxy)ethyl]oxane.
What is the SMILES notation for 3-[1-(2-methylprop-1-enoxy)ethyl]oxane?
The canonical SMILES for 3-[1-(2-methylprop-1-enoxy)ethyl]oxane is CC(C)=COC(C)C1CCCOC1.
What is the InChIKey of 3-[1-(2-methylprop-1-enoxy)ethyl]oxane?
The InChIKey is ZSDPECNQKULLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)7-13-10(3)11-5-4-6-12-8-11/h7,10-11H,4-6,8H2,1-3H3.
What are the key properties of 3-[1-(2-methylprop-1-enoxy)ethyl]oxane?
3-[1-(2-methylprop-1-enoxy)ethyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylprop-1-enoxy)ethyl]oxane is sourced from PubChem (CID 176603720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).