1-(1-iodoethoxy)-2-methylpropane

C6H13IO — CID 71330818

IUPAC1-(1-iodoethoxy)-2-methylpropane
SMILESCC(C)COC(C)I
InChIInChI=1S/C6H13IO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3
InChIKeyBNXSBTYUFHTXLX-UHFFFAOYSA-N
MW228.07 g/mol
LogP2.44
Rot. Bonds3

About 1-(1-iodoethoxy)-2-methylpropane

1-(1-iodoethoxy)-2-methylpropane (PubChem CID 71330818) has the molecular formula C6H13IO and a molecular weight of 228.07 g/mol. Its IUPAC name is 1-(1-iodoethoxy)-2-methylpropane.

Molecular Properties

Compound Name1-(1-iodoethoxy)-2-methylpropane
PubChem CID71330818
Molecular FormulaC6H13IO
Molecular Weight228.07 g/mol
Exact Mass228.00
IUPAC Name1-(1-iodoethoxy)-2-methylpropane
SMILESCC(C)COC(C)I
InChIInChI=1S/C6H13IO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3
InChIKeyBNXSBTYUFHTXLX-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.07
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethoxy)-2-methylpropane?
The IUPAC name of 1-(1-iodoethoxy)-2-methylpropane (CID 71330818) is 1-(1-iodoethoxy)-2-methylpropane.
What is the SMILES notation for 1-(1-iodoethoxy)-2-methylpropane?
The canonical SMILES for 1-(1-iodoethoxy)-2-methylpropane is CC(C)COC(C)I.
What is the InChIKey of 1-(1-iodoethoxy)-2-methylpropane?
The InChIKey is BNXSBTYUFHTXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IO/c1-5(2)4-8-6(3)7/h5-6H,4H2,1-3H3.
What are the key properties of 1-(1-iodoethoxy)-2-methylpropane?
1-(1-iodoethoxy)-2-methylpropane has a molecular weight of 228.07 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethoxy)-2-methylpropane is sourced from PubChem (CID 71330818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).