2-iodo-2-methyl-1-prop-2-enoxypropane

C7H13IO — CID 164665346

IUPAC2-iodo-2-methyl-1-prop-2-enoxypropane
SMILESC=CCOCC(C)(C)I
InChIInChI=1S/C7H13IO/c1-4-5-9-6-7(2,3)8/h4H,1,5-6H2,2-3H3
InChIKeyVPUFOIMGKHOKOC-UHFFFAOYSA-N
MW240.08 g/mol
LogP2.40
Rot. Bonds4

About 2-iodo-2-methyl-1-prop-2-enoxypropane

2-iodo-2-methyl-1-prop-2-enoxypropane (PubChem CID 164665346) has the molecular formula C7H13IO and a molecular weight of 240.08 g/mol. Its IUPAC name is 2-iodo-2-methyl-1-prop-2-enoxypropane.

Molecular Properties

Compound Name2-iodo-2-methyl-1-prop-2-enoxypropane
PubChem CID164665346
Molecular FormulaC7H13IO
Molecular Weight240.08 g/mol
Exact Mass240.00
IUPAC Name2-iodo-2-methyl-1-prop-2-enoxypropane
SMILESC=CCOCC(C)(C)I
InChIInChI=1S/C7H13IO/c1-4-5-9-6-7(2,3)8/h4H,1,5-6H2,2-3H3
InChIKeyVPUFOIMGKHOKOC-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 52.40
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-methyl-1-prop-2-enoxypropane?
The IUPAC name of 2-iodo-2-methyl-1-prop-2-enoxypropane (CID 164665346) is 2-iodo-2-methyl-1-prop-2-enoxypropane.
What is the SMILES notation for 2-iodo-2-methyl-1-prop-2-enoxypropane?
The canonical SMILES for 2-iodo-2-methyl-1-prop-2-enoxypropane is C=CCOCC(C)(C)I.
What is the InChIKey of 2-iodo-2-methyl-1-prop-2-enoxypropane?
The InChIKey is VPUFOIMGKHOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO/c1-4-5-9-6-7(2,3)8/h4H,1,5-6H2,2-3H3.
What are the key properties of 2-iodo-2-methyl-1-prop-2-enoxypropane?
2-iodo-2-methyl-1-prop-2-enoxypropane has a molecular weight of 240.08 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-methyl-1-prop-2-enoxypropane is sourced from PubChem (CID 164665346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).