2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane

C11H20O2 — CID 18716210

IUPAC2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(CC)C(C)C1OC
InChIInChI=1S/C11H20O2/c1-5-7-10-11(12-4)8(3)9(6-2)13-10/h5,8-11H,1,6-7H2,2-4H3
InChIKeyBEZFFKXJQUKEGQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds4

About 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane

2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane (PubChem CID 18716210) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
PubChem CID18716210
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(CC)C(C)C1OC
InChIInChI=1S/C11H20O2/c1-5-7-10-11(12-4)8(3)9(6-2)13-10/h5,8-11H,1,6-7H2,2-4H3
InChIKeyBEZFFKXJQUKEGQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane 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 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
The IUPAC name of 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane (CID 18716210) is 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane.
What is the SMILES notation for 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
The canonical SMILES for 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane is C=CCC1OC(CC)C(C)C1OC.
What is the InChIKey of 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
The InChIKey is BEZFFKXJQUKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-10-11(12-4)8(3)9(6-2)13-10/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane has a molecular weight of 184.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane is sourced from PubChem (CID 18716210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).