2-(2-iodoethoxy)-2-methoxypropane

C6H13IO2 — CID 19858315

IUPAC2-(2-iodoethoxy)-2-methoxypropane
SMILESCOC(C)(C)OCCI
InChIInChI=1S/C6H13IO2/c1-6(2,8-3)9-5-4-7/h4-5H2,1-3H3
InChIKeyHOIVRTJTOVNTRQ-UHFFFAOYSA-N
MW244.07 g/mol
LogP1.82
Rot. Bonds4

About 2-(2-iodoethoxy)-2-methoxypropane

2-(2-iodoethoxy)-2-methoxypropane (PubChem CID 19858315) has the molecular formula C6H13IO2 and a molecular weight of 244.07 g/mol. Its IUPAC name is 2-(2-iodoethoxy)-2-methoxypropane.

Molecular Properties

Compound Name2-(2-iodoethoxy)-2-methoxypropane
PubChem CID19858315
Molecular FormulaC6H13IO2
Molecular Weight244.07 g/mol
Exact Mass244.00
IUPAC Name2-(2-iodoethoxy)-2-methoxypropane
SMILESCOC(C)(C)OCCI
InChIInChI=1S/C6H13IO2/c1-6(2,8-3)9-5-4-7/h4-5H2,1-3H3
InChIKeyHOIVRTJTOVNTRQ-UHFFFAOYSA-N
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodoethoxy)-2-methoxypropane?
The IUPAC name of 2-(2-iodoethoxy)-2-methoxypropane (CID 19858315) is 2-(2-iodoethoxy)-2-methoxypropane.
What is the SMILES notation for 2-(2-iodoethoxy)-2-methoxypropane?
The canonical SMILES for 2-(2-iodoethoxy)-2-methoxypropane is COC(C)(C)OCCI.
What is the InChIKey of 2-(2-iodoethoxy)-2-methoxypropane?
The InChIKey is HOIVRTJTOVNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO2/c1-6(2,8-3)9-5-4-7/h4-5H2,1-3H3.
What are the key properties of 2-(2-iodoethoxy)-2-methoxypropane?
2-(2-iodoethoxy)-2-methoxypropane has a molecular weight of 244.07 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodoethoxy)-2-methoxypropane is sourced from PubChem (CID 19858315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).