1-ethoxy-1-iodoethane

C4H9IO — CID 18791944

IUPAC1-ethoxy-1-iodoethane
SMILESCCOC(C)I
InChIInChI=1S/C4H9IO/c1-3-6-4(2)5/h4H,3H2,1-2H3
InChIKeyQNOXOQYCVBEWKM-UHFFFAOYSA-N
MW200.02 g/mol
LogP1.80
Rot. Bonds2

About 1-ethoxy-1-iodoethane

1-ethoxy-1-iodoethane (PubChem CID 18791944) has the molecular formula C4H9IO and a molecular weight of 200.02 g/mol. Its IUPAC name is 1-ethoxy-1-iodoethane.

Molecular Properties

Compound Name1-ethoxy-1-iodoethane
PubChem CID18791944
Molecular FormulaC4H9IO
Molecular Weight200.02 g/mol
Exact Mass199.97
IUPAC Name1-ethoxy-1-iodoethane
SMILESCCOC(C)I
InChIInChI=1S/C4H9IO/c1-3-6-4(2)5/h4H,3H2,1-2H3
InChIKeyQNOXOQYCVBEWKM-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 51.80
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

1-Iodo-2-(2-iodoethoxy)ethane
CID 3430779
1-Iodo-3,6,9-trioxadecane
CID 10636020
1-Iodo-2-(2-methoxyethoxy)ethane
CID 15698033
1-Iodo-3-methoxypropane
CID 13522989
1-Ethoxy-3-iodopropane
CID 12841433
2-(2-Iodoethoxy)propane
CID 18669154
2-Iodo-1-methoxypropane
CID 54006994
1-Ethoxy-2-iodoethane
CID 13869709
Ethane, 1,1'-oxybis[1-iodo-
CID 10860367
1-(2-Iodoethoxy)-butane
CID 21522244
1-Iodo-4-methoxybutane
CID 22707894
Jodomethylmethylather
CID 54330824

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-iodoethane?
The IUPAC name of 1-ethoxy-1-iodoethane (CID 18791944) is 1-ethoxy-1-iodoethane.
What is the SMILES notation for 1-ethoxy-1-iodoethane?
The canonical SMILES for 1-ethoxy-1-iodoethane is CCOC(C)I.
What is the InChIKey of 1-ethoxy-1-iodoethane?
The InChIKey is QNOXOQYCVBEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IO/c1-3-6-4(2)5/h4H,3H2,1-2H3.
What are the key properties of 1-ethoxy-1-iodoethane?
1-ethoxy-1-iodoethane has a molecular weight of 200.02 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-iodoethane is sourced from PubChem (CID 18791944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).