2-(2-iodoethoxy)propane

C5H11IO — CID 18669154

IUPAC2-(2-iodoethoxy)propane
SMILESCC(C)OCCI
InChIInChI=1S/C5H11IO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKeyUWIHFAMNCKJWKW-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.85
Rot. Bonds3

About 2-(2-iodoethoxy)propane

2-(2-iodoethoxy)propane (PubChem CID 18669154) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is 2-(2-iodoethoxy)propane.

Molecular Properties

Compound Name2-(2-iodoethoxy)propane
PubChem CID18669154
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Name2-(2-iodoethoxy)propane
SMILESCC(C)OCCI
InChIInChI=1S/C5H11IO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKeyUWIHFAMNCKJWKW-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Diisopropyl Ether
CID 7914
2-Ethoxybutane
CID 17586
Ethyl isopropyl ether
CID 12256
Propane, 1-(1-methylethoxy)-
CID 12304
1-Iodo-3-methoxypropane
CID 13522989
2-(2-Iodoethoxy)-2-methylpropane
CID 11107093
1-Ethoxy-3-iodopropane
CID 12841433
1-Iodo-2-methoxypropane
CID 14535029
2-Iodo-1-methoxypropane
CID 54006994
1,5-Diiodo-3-methoxypentane
CID 58196991
Diisopropyl ether-13C6
CID 71308954
1-Ethoxy-2-iodoethane
CID 13869709

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethoxy)propane?
The IUPAC name of 2-(2-iodoethoxy)propane (CID 18669154) is 2-(2-iodoethoxy)propane.
What is the SMILES notation for 2-(2-iodoethoxy)propane?
The canonical SMILES for 2-(2-iodoethoxy)propane is CC(C)OCCI.
What is the InChIKey of 2-(2-iodoethoxy)propane?
The InChIKey is UWIHFAMNCKJWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2-iodoethoxy)propane?
2-(2-iodoethoxy)propane has a molecular weight of 214.05 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethoxy)propane is sourced from PubChem (CID 18669154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).