2-(ethenoxymethyl)-2-ethyloxepane

C11H20O2 — CID 176604401

IUPAC2-(ethenoxymethyl)-2-ethyloxepane
SMILESC=COCC1(CC)CCCCCO1
InChIInChI=1S/C11H20O2/c1-3-11(10-12-4-2)8-6-5-7-9-13-11/h4H,2-3,5-10H2,1H3
InChIKeyNKBZOJKJFHSJDC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethyloxepane

2-(ethenoxymethyl)-2-ethyloxepane (PubChem CID 176604401) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyloxepane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethyloxepane
PubChem CID176604401
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(ethenoxymethyl)-2-ethyloxepane
SMILESC=COCC1(CC)CCCCCO1
InChIInChI=1S/C11H20O2/c1-3-11(10-12-4-2)8-6-5-7-9-13-11/h4H,2-3,5-10H2,1H3
InChIKeyNKBZOJKJFHSJDC-UHFFFAOYSA-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-(ethenoxymethyl)-2-ethyloxepane 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

1,4-Dioxaspiro[5.6]dodec-2-ene
CID 57322543
3-(Ethoxymethyl)-3-methoxynonane
CID 91409964
2,7-Bis(ethenoxy)-2,7-dimethyloctane
CID 126747759
3-(2-Methoxyethoxy)-3-methylnonane
CID 139320025
2-(6-Ethenoxyhexyl)-2-ethyloxetane
CID 140206364
2-(5-Ethenoxypentyl)-2-ethyloxetane
CID 140206366
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176603088
2-(2-Ethenoxyethyl)-2-methyloxepane
CID 176603179
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
CID 176603539
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxepane
CID 176604031
2-(Ethenoxymethyl)-2-methyloxocane
CID 176604370
2-(Ethenoxymethyl)-2-ethyloxocane
CID 176604528

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethyloxepane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethyloxepane (CID 176604401) is 2-(ethenoxymethyl)-2-ethyloxepane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyloxepane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethyloxepane is C=COCC1(CC)CCCCCO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethyloxepane?
The InChIKey is NKBZOJKJFHSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-11(10-12-4-2)8-6-5-7-9-13-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethyloxepane?
2-(ethenoxymethyl)-2-ethyloxepane 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-(ethenoxymethyl)-2-ethyloxepane is sourced from PubChem (CID 176604401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).