(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane

C8H17IO — CID 14526353

IUPAC(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
SMILESC[C@@H](CI)COC(C)(C)C
InChIInChI=1S/C8H17IO/c1-7(5-9)6-10-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyZASNGPJDILNKOJ-ZETCQYMHSA-N
MW256.13 g/mol
LogP2.87
Rot. Bonds3

About (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane

(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 14526353) has the molecular formula C8H17IO and a molecular weight of 256.13 g/mol. Its IUPAC name is (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Name(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
PubChem CID14526353
Molecular FormulaC8H17IO
Molecular Weight256.13 g/mol
Exact Mass256.03
IUPAC Name(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
SMILESC[C@@H](CI)COC(C)(C)C
InChIInChI=1S/C8H17IO/c1-7(5-9)6-10-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyZASNGPJDILNKOJ-ZETCQYMHSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.87
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 (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane (CID 14526353) is (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane is C[C@@H](CI)COC(C)(C)C.
What is the InChIKey of (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is ZASNGPJDILNKOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17IO/c1-7(5-9)6-10-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane?
(2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 256.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-iodo-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 14526353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).