1-ethoxy-3-iodopropane

C5H11IO — CID 12841433

IUPAC1-ethoxy-3-iodopropane
SMILESCCOCCCI
InChIInChI=1S/C5H11IO/c1-2-7-5-3-4-6/h2-5H2,1H3
InChIKeyTYODDTFWIMEWAD-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.85
Rot. Bonds4

About 1-ethoxy-3-iodopropane

1-ethoxy-3-iodopropane (PubChem CID 12841433) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is 1-ethoxy-3-iodopropane.

Molecular Properties

Compound Name1-ethoxy-3-iodopropane
PubChem CID12841433
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Name1-ethoxy-3-iodopropane
SMILESCCOCCCI
InChIInChI=1S/C5H11IO/c1-2-7-5-3-4-6/h2-5H2,1H3
InChIKeyTYODDTFWIMEWAD-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxypropane
CID 13522989
2-(2-Iodoethoxy)-2-methylpropane
CID 11107093
1-Iodo-2-methoxypropane
CID 14535029
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-3-(iodomethoxy)propane
CID 14661364
Jodather
CID 18791944
1-Iodo-4-methoxybutane
CID 22707894

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-iodopropane?
The IUPAC name of 1-ethoxy-3-iodopropane (CID 12841433) is 1-ethoxy-3-iodopropane.
What is the SMILES notation for 1-ethoxy-3-iodopropane?
The canonical SMILES for 1-ethoxy-3-iodopropane is CCOCCCI.
What is the InChIKey of 1-ethoxy-3-iodopropane?
The InChIKey is TYODDTFWIMEWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-2-7-5-3-4-6/h2-5H2,1H3.
What are the key properties of 1-ethoxy-3-iodopropane?
1-ethoxy-3-iodopropane has a molecular weight of 214.05 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-iodopropane is sourced from PubChem (CID 12841433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).