2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane

C17H28O3 — CID 11087183

IUPAC2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane
SMILESC=COCC(=C)C(OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C17H28O3/c1-3-18-13-14(2)17(15-9-5-4-6-10-15)20-16-11-7-8-12-19-16/h3,15-17H,1-2,4-13H2
InChIKeyNMAOCUSVUZNKLB-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.19
Rot. Bonds7

About 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane

2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane (PubChem CID 11087183) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane
PubChem CID11087183
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane
SMILESC=COCC(=C)C(OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C17H28O3/c1-3-18-13-14(2)17(15-9-5-4-6-10-15)20-16-11-7-8-12-19-16/h3,15-17H,1-2,4-13H2
InChIKeyNMAOCUSVUZNKLB-UHFFFAOYSA-N
XLogP4.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane 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-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane?
The IUPAC name of 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane (CID 11087183) is 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane.
What is the SMILES notation for 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane?
The canonical SMILES for 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane is C=COCC(=C)C(OC1CCCCO1)C1CCCCC1.
What is the InChIKey of 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane?
The InChIKey is NMAOCUSVUZNKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-18-13-14(2)17(15-9-5-4-6-10-15)20-16-11-7-8-12-19-16/h3,15-17H,1-2,4-13H2.
What are the key properties of 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane?
2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane has a molecular weight of 280.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane is sourced from PubChem (CID 11087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).