2-ethoxy-1-iodo-2-methylpropane

C6H13IO — CID 59810120

IUPAC2-ethoxy-1-iodo-2-methylpropane
SMILESCCOC(C)(C)CI
InChIInChI=1S/C6H13IO/c1-4-8-6(2,3)5-7/h4-5H2,1-3H3
InChIKeyCZYNVQVBEWZHSR-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.24
Rot. Bonds3

About 2-ethoxy-1-iodo-2-methylpropane

2-ethoxy-1-iodo-2-methylpropane (PubChem CID 59810120) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is 2-ethoxy-1-iodo-2-methylpropane.

Molecular Properties

Compound Name2-ethoxy-1-iodo-2-methylpropane
PubChem CID59810120
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name2-ethoxy-1-iodo-2-methylpropane
SMILESCCOC(C)(C)CI
InChIInChI=1S/C6H13IO/c1-4-8-6(2,3)5-7/h4-5H2,1-3H3
InChIKeyCZYNVQVBEWZHSR-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Ethyl tert-butyl ether
CID 12512
2-(2-Iodoethoxy)-2-methylpropane
CID 11107093
1-Ethoxy-3-iodopropane
CID 12841433
2-(2-Iodoethoxy)propane
CID 18669154
1-Iodo-2-methoxy-2-methylpropane
CID 18966832
2-Ethoxy-2-(~13~C)methyl(1,3-~13~C_2_)propane
CID 71308925
Tert-butyl ether-13C6
CID 71309473
Jodomethylmethylather
CID 54330824
Ethyl 2-iodopropyl ether
CID 59112647
1-(1-Iodoethoxy)-2-methylpropane
CID 71330818
Fluoro-(2-methoxy-2-methylpropyl)iodanium
CID 146964704
(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 14526353

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-iodo-2-methylpropane?
The IUPAC name of 2-ethoxy-1-iodo-2-methylpropane (CID 59810120) is 2-ethoxy-1-iodo-2-methylpropane.
What is the SMILES notation for 2-ethoxy-1-iodo-2-methylpropane?
The canonical SMILES for 2-ethoxy-1-iodo-2-methylpropane is CCOC(C)(C)CI.
What is the InChIKey of 2-ethoxy-1-iodo-2-methylpropane?
The InChIKey is CZYNVQVBEWZHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO/c1-4-8-6(2,3)5-7/h4-5H2,1-3H3.
What are the key properties of 2-ethoxy-1-iodo-2-methylpropane?
2-ethoxy-1-iodo-2-methylpropane has a molecular weight of 228.07 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-iodo-2-methylpropane is sourced from PubChem (CID 59810120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).