2-(2-ethenoxyethyl)-2-methyloxepane

C11H20O2 — CID 176603179

IUPAC2-(2-ethenoxyethyl)-2-methyloxepane
SMILESC=COCCC1(C)CCCCCO1
InChIInChI=1S/C11H20O2/c1-3-12-10-8-11(2)7-5-4-6-9-13-11/h3H,1,4-10H2,2H3
InChIKeyUKRDLZVRKXPKOL-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-ethenoxyethyl)-2-methyloxepane

2-(2-ethenoxyethyl)-2-methyloxepane (PubChem CID 176603179) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(2-ethenoxyethyl)-2-methyloxepane.

Molecular Properties

Compound Name2-(2-ethenoxyethyl)-2-methyloxepane
PubChem CID176603179
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(2-ethenoxyethyl)-2-methyloxepane
SMILESC=COCCC1(C)CCCCCO1
InChIInChI=1S/C11H20O2/c1-3-12-10-8-11(2)7-5-4-6-9-13-11/h3H,1,4-10H2,2H3
InChIKeyUKRDLZVRKXPKOL-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-ethenoxyethyl)-2-methyloxepane 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

3-Ethenoxy-3-methyloctane
CID 18690634
2-Ethenoxy-2-methylundecane
CID 56975110
2-Ethenoxy-2-methyloctane
CID 88235710
2,2-Diethyloxepane
CID 89425585
2,7-Bis(ethenoxy)-2,7-dimethyloctane
CID 126747759
4-Ethenoxy-3-(ethenoxymethyl)octane
CID 132153155
4,11-Bis(ethenoxy)-4,11-dimethyltetradecane
CID 134531184
2-(6-Ethenoxyhexyl)-2-ethyloxetane
CID 140206364
2-(5-Ethenoxypentyl)-2-ethyloxetane
CID 140206366
2-Methyl-2-pentyloxepane
CID 141543125
2-Ethyl-2-methyloxepane
CID 144595022
2-Ethenoxy-2-methyldecane
CID 150977035

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethyl)-2-methyloxepane?
The IUPAC name of 2-(2-ethenoxyethyl)-2-methyloxepane (CID 176603179) is 2-(2-ethenoxyethyl)-2-methyloxepane.
What is the SMILES notation for 2-(2-ethenoxyethyl)-2-methyloxepane?
The canonical SMILES for 2-(2-ethenoxyethyl)-2-methyloxepane is C=COCCC1(C)CCCCCO1.
What is the InChIKey of 2-(2-ethenoxyethyl)-2-methyloxepane?
The InChIKey is UKRDLZVRKXPKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-10-8-11(2)7-5-4-6-9-13-11/h3H,1,4-10H2,2H3.
What are the key properties of 2-(2-ethenoxyethyl)-2-methyloxepane?
2-(2-ethenoxyethyl)-2-methyloxepane 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-(2-ethenoxyethyl)-2-methyloxepane is sourced from PubChem (CID 176603179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).