2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane

C11H20O2 — CID 176603915

IUPAC2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(CC)CCCCO1
InChIInChI=1S/C11H20O2/c1-3-8-12-10-11(4-2)7-5-6-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyCDTGMWLBUJESML-FPYGCLRLSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

About 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 176603915) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID176603915
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1(CC)CCCCO1
InChIInChI=1S/C11H20O2/c1-3-8-12-10-11(4-2)7-5-6-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyCDTGMWLBUJESML-FPYGCLRLSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-[[(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

Related Compounds

1-Prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896285
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176603088
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604335
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604612
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604888
2-(Ethenoxymethyl)-2-ethyloxane
CID 176605304
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176605385
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176605405

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane (CID 176603915) is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1(CC)CCCCO1.
What is the InChIKey of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is CDTGMWLBUJESML-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-8-12-10-11(4-2)7-5-6-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+.
What are the key properties of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane?
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane is sourced from PubChem (CID 176603915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).