ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C13H20O4 — CID 18943224

IUPACethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOCOCC.CCOc1cc2ccc1o2
InChIInChI=1S/C8H8O2.C5H12O2/c1-2-9-8-5-6-3-4-7(8)10-6;1-3-6-5-7-4-2/h3-5H,2H2,1H3;3-5H2,1-2H3
InChIKeyKQMUGCOHZCKOMX-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.29
Rot. Bonds6

About ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 18943224) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Nameethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID18943224
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Nameethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCCOCOCC.CCOc1cc2ccc1o2
InChIInChI=1S/C8H8O2.C5H12O2/c1-2-9-8-5-6-3-4-7(8)10-6;1-3-6-5-7-4-2/h3-5H,2H2,1H3;3-5H2,1-2H3
InChIKeyKQMUGCOHZCKOMX-UHFFFAOYSA-N
XLogP3.29
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene 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-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943225
ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943279
2-ethoxy-6-methyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 69101628
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
5-[2-(4-ethoxyphenyl)ethyl]-2-hydroxybenzoic acid;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 19106201
4,5-diethoxychromen-2-one
CID 90255780
ethanamine;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-ol
CID 21291607
3,7,11,15,19,21,23,25,27,29-decaethoxyhexacyclo[16.2.2.22,5.26,9.210,13.214,17]triaconta-1(20),2(30),3,5(29),6(28),7,9(27),10(26),11,13(25),14,16,18,21,23-pentadecaene
CID 102460530
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
4-ethoxychromen-2-one
CID 688703
1,3-dichloro-5-(ethoxymethoxy)benzene
CID 175806950

Frequently Asked Questions

What is the IUPAC name of ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 18943224) is ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is CCOCOCC.CCOc1cc2ccc1o2.
What is the InChIKey of ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is KQMUGCOHZCKOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C5H12O2/c1-2-9-8-5-6-3-4-7(8)10-6;1-3-6-5-7-4-2/h3-5H,2H2,1H3;3-5H2,1-2H3.
What are the key properties of ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 240.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 18943224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).