2-(2-methylprop-1-enoxymethyl)oxepane

C11H20O2 — CID 176604560

IUPAC2-(2-methylprop-1-enoxymethyl)oxepane
SMILESCC(C)=COCC1CCCCCO1
InChIInChI=1S/C11H20O2/c1-10(2)8-12-9-11-6-4-3-5-7-13-11/h8,11H,3-7,9H2,1-2H3
InChIKeyOEJGZFOITJRQKH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-methylprop-1-enoxymethyl)oxepane

2-(2-methylprop-1-enoxymethyl)oxepane (PubChem CID 176604560) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)oxepane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)oxepane
PubChem CID176604560
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(2-methylprop-1-enoxymethyl)oxepane
SMILESCC(C)=COCC1CCCCCO1
InChIInChI=1S/C11H20O2/c1-10(2)8-12-9-11-6-4-3-5-7-13-11/h8,11H,3-7,9H2,1-2H3
InChIKeyOEJGZFOITJRQKH-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(2-methylprop-1-enoxymethyl)oxepane 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

2-Methylprop-1-enoxycycloheptane
CID 140148374
2-(2-Methylprop-1-enoxymethyl)oxocane
CID 176603282
3-(2-Methylprop-1-enoxy)oxocane
CID 176603349
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
3-(2-Methylprop-1-enoxy)oxepane
CID 176604228
2-(2-Methylprop-1-enoxymethyl)oxane
CID 176604594
2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176605179
2-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176605190
2-(Cyclohexylidenemethoxymethyl)oxepane
CID 176605291

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)oxepane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)oxepane (CID 176604560) is 2-(2-methylprop-1-enoxymethyl)oxepane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)oxepane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)oxepane is CC(C)=COCC1CCCCCO1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)oxepane?
The InChIKey is OEJGZFOITJRQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-12-9-11-6-4-3-5-7-13-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)oxepane?
2-(2-methylprop-1-enoxymethyl)oxepane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)oxepane is sourced from PubChem (CID 176604560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).