(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one

C6H9IO2 — CID 14780680

IUPAC(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one
SMILESC[C@H]1O[C@@H](CI)CC1=O
InChIInChI=1S/C6H9IO2/c1-4-6(8)2-5(3-7)9-4/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyAWJUWTJXCXILLD-RFZPGFLSSA-N
MW240.04 g/mol
LogP1.17
Rot. Bonds1

About (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one

(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one (PubChem CID 14780680) has the molecular formula C6H9IO2 and a molecular weight of 240.04 g/mol. Its IUPAC name is (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one.

Molecular Properties

Compound Name(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one
PubChem CID14780680
Molecular FormulaC6H9IO2
Molecular Weight240.04 g/mol
Exact Mass239.96
IUPAC Name(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one
SMILESC[C@H]1O[C@@H](CI)CC1=O
InChIInChI=1S/C6H9IO2/c1-4-6(8)2-5(3-7)9-4/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyAWJUWTJXCXILLD-RFZPGFLSSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 51.17
H-Bond Donors ≤ 50
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 (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one?
The IUPAC name of (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one (CID 14780680) is (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one.
What is the SMILES notation for (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one?
The canonical SMILES for (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one is C[C@H]1O[C@@H](CI)CC1=O.
What is the InChIKey of (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one?
The InChIKey is AWJUWTJXCXILLD-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9IO2/c1-4-6(8)2-5(3-7)9-4/h4-5H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one?
(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one has a molecular weight of 240.04 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one is sourced from PubChem (CID 14780680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).