1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane

C7H15IO3 — CID 87061041

IUPAC1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane
SMILESCCOC(C)(I)OCCOC
InChIInChI=1S/C7H15IO3/c1-4-10-7(2,8)11-6-5-9-3/h4-6H2,1-3H3
InChIKeyMENQXUKPAAVMDX-UHFFFAOYSA-N
MW274.10 g/mol
LogP1.79
Rot. Bonds6

About 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane

1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane (PubChem CID 87061041) has the molecular formula C7H15IO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Name1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane
PubChem CID87061041
Molecular FormulaC7H15IO3
Molecular Weight274.10 g/mol
Exact Mass274.01
IUPAC Name1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane
SMILESCCOC(C)(I)OCCOC
InChIInChI=1S/C7H15IO3/c1-4-10-7(2,8)11-6-5-9-3/h4-6H2,1-3H3
InChIKeyMENQXUKPAAVMDX-UHFFFAOYSA-N
XLogP1.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroperoxy-2-(2-methoxyethoxy)propane
CID 10034782
2-ethoxy-6-(2-methoxyethoxy)-2,3,3,6-tetramethylheptane
CID 167138738
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbutane
CID 89483999
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
S-(2-methoxyethyl) 2-ethoxy-2-methylpropanethioate
CID 89371199
2,2-diethoxy-1-methoxypropane
CID 168868590
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
CID 23185217
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
CID 172826348
CID 172826348

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane?
The IUPAC name of 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane (CID 87061041) is 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane.
What is the SMILES notation for 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane?
The canonical SMILES for 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane is CCOC(C)(I)OCCOC.
What is the InChIKey of 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane?
The InChIKey is MENQXUKPAAVMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IO3/c1-4-10-7(2,8)11-6-5-9-3/h4-6H2,1-3H3.
What are the key properties of 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane?
1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane has a molecular weight of 274.10 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-iodo-1-(2-methoxyethoxy)ethane is sourced from PubChem (CID 87061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).