4-ethylidene-3-methoxy-2-methyloxane

C9H16O2 — CID 123417207

IUPAC4-ethylidene-3-methoxy-2-methyloxane
SMILESCC=C1CCOC(C)C1OC
InChIInChI=1S/C9H16O2/c1-4-8-5-6-11-7(2)9(8)10-3/h4,7,9H,5-6H2,1-3H3
InChIKeyZVDUBRUMMQUGDV-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.76
Rot. Bonds1

About 4-ethylidene-3-methoxy-2-methyloxane

4-ethylidene-3-methoxy-2-methyloxane (PubChem CID 123417207) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-ethylidene-3-methoxy-2-methyloxane.

Molecular Properties

Compound Name4-ethylidene-3-methoxy-2-methyloxane
PubChem CID123417207
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-ethylidene-3-methoxy-2-methyloxane
SMILESCC=C1CCOC(C)C1OC
InChIInChI=1S/C9H16O2/c1-4-8-5-6-11-7(2)9(8)10-3/h4,7,9H,5-6H2,1-3H3
InChIKeyZVDUBRUMMQUGDV-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethylidene-3-methoxy-2-methyloxane 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-ethylidene-3-methoxy-2-methyloxane?
The IUPAC name of 4-ethylidene-3-methoxy-2-methyloxane (CID 123417207) is 4-ethylidene-3-methoxy-2-methyloxane.
What is the SMILES notation for 4-ethylidene-3-methoxy-2-methyloxane?
The canonical SMILES for 4-ethylidene-3-methoxy-2-methyloxane is CC=C1CCOC(C)C1OC.
What is the InChIKey of 4-ethylidene-3-methoxy-2-methyloxane?
The InChIKey is ZVDUBRUMMQUGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8-5-6-11-7(2)9(8)10-3/h4,7,9H,5-6H2,1-3H3.
What are the key properties of 4-ethylidene-3-methoxy-2-methyloxane?
4-ethylidene-3-methoxy-2-methyloxane has a molecular weight of 156.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-3-methoxy-2-methyloxane is sourced from PubChem (CID 123417207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).