(3R,4R)-4-iodopentane-2,3-diol

C5H11IO2 — CID 134993027

IUPAC(3R,4R)-4-iodopentane-2,3-diol
SMILESCC(O)[C@@H](O)[C@@H](C)I
InChIInChI=1S/C5H11IO2/c1-3(6)5(8)4(2)7/h3-5,7-8H,1-2H3/t3-,4?,5+/m1/s1
InChIKeyFKCUVPIQZVWTTE-DEOSMSJNSA-N
MW230.05 g/mol
LogP0.55
Rot. Bonds2

About (3R,4R)-4-iodopentane-2,3-diol

(3R,4R)-4-iodopentane-2,3-diol (PubChem CID 134993027) has the molecular formula C5H11IO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is (3R,4R)-4-iodopentane-2,3-diol.

Molecular Properties

Compound Name(3R,4R)-4-iodopentane-2,3-diol
PubChem CID134993027
Molecular FormulaC5H11IO2
Molecular Weight230.05 g/mol
Exact Mass229.98
IUPAC Name(3R,4R)-4-iodopentane-2,3-diol
SMILESCC(O)[C@@H](O)[C@@H](C)I
InChIInChI=1S/C5H11IO2/c1-3(6)5(8)4(2)7/h3-5,7-8H,1-2H3/t3-,4?,5+/m1/s1
InChIKeyFKCUVPIQZVWTTE-DEOSMSJNSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3R,4R)-4-iodopentane-2,3-diol?
The IUPAC name of (3R,4R)-4-iodopentane-2,3-diol (CID 134993027) is (3R,4R)-4-iodopentane-2,3-diol.
What is the SMILES notation for (3R,4R)-4-iodopentane-2,3-diol?
The canonical SMILES for (3R,4R)-4-iodopentane-2,3-diol is CC(O)[C@@H](O)[C@@H](C)I.
What is the InChIKey of (3R,4R)-4-iodopentane-2,3-diol?
The InChIKey is FKCUVPIQZVWTTE-DEOSMSJNSA-N. The full InChI is InChI=1S/C5H11IO2/c1-3(6)5(8)4(2)7/h3-5,7-8H,1-2H3/t3-,4?,5+/m1/s1.
What are the key properties of (3R,4R)-4-iodopentane-2,3-diol?
(3R,4R)-4-iodopentane-2,3-diol has a molecular weight of 230.05 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-iodopentane-2,3-diol is sourced from PubChem (CID 134993027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).