(2R,4S)-2,4-diiodopentan-3-one

C5H8I2O — CID 14977100

IUPAC(2R,4S)-2,4-diiodopentan-3-one
SMILESC[C@H](I)C(=O)[C@@H](C)I
InChIInChI=1S/C5H8I2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3/t3-,4+
InChIKeyYXWFMIGIPJOXGJ-ZXZARUISSA-N
MW337.93 g/mol
LogP2.20
Rot. Bonds2

About (2R,4S)-2,4-diiodopentan-3-one

(2R,4S)-2,4-diiodopentan-3-one (PubChem CID 14977100) has the molecular formula C5H8I2O and a molecular weight of 337.93 g/mol. Its IUPAC name is (2R,4S)-2,4-diiodopentan-3-one.

Molecular Properties

Compound Name(2R,4S)-2,4-diiodopentan-3-one
PubChem CID14977100
Molecular FormulaC5H8I2O
Molecular Weight337.93 g/mol
Exact Mass337.87
IUPAC Name(2R,4S)-2,4-diiodopentan-3-one
SMILESC[C@H](I)C(=O)[C@@H](C)I
InChIInChI=1S/C5H8I2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3/t3-,4+
InChIKeyYXWFMIGIPJOXGJ-ZXZARUISSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.93
LogP ≤ 52.20
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,4S)-2,4-diiodopentan-3-one?
The IUPAC name of (2R,4S)-2,4-diiodopentan-3-one (CID 14977100) is (2R,4S)-2,4-diiodopentan-3-one.
What is the SMILES notation for (2R,4S)-2,4-diiodopentan-3-one?
The canonical SMILES for (2R,4S)-2,4-diiodopentan-3-one is C[C@H](I)C(=O)[C@@H](C)I.
What is the InChIKey of (2R,4S)-2,4-diiodopentan-3-one?
The InChIKey is YXWFMIGIPJOXGJ-ZXZARUISSA-N. The full InChI is InChI=1S/C5H8I2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3/t3-,4+.
What are the key properties of (2R,4S)-2,4-diiodopentan-3-one?
(2R,4S)-2,4-diiodopentan-3-one has a molecular weight of 337.93 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-diiodopentan-3-one is sourced from PubChem (CID 14977100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).