(2S,5S)-2-(iodomethyl)-5-methyloxolane

C6H11IO — CID 92860810

IUPAC(2S,5S)-2-(iodomethyl)-5-methyloxolane
SMILESC[C@H]1CC[C@@H](CI)O1
InChIInChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyUORBAIPDXXLMMX-WDSKDSINSA-N
MW226.06 g/mol
LogP1.99
Rot. Bonds1

About (2S,5S)-2-(iodomethyl)-5-methyloxolane

(2S,5S)-2-(iodomethyl)-5-methyloxolane (PubChem CID 92860810) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is (2S,5S)-2-(iodomethyl)-5-methyloxolane.

Molecular Properties

Compound Name(2S,5S)-2-(iodomethyl)-5-methyloxolane
PubChem CID92860810
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name(2S,5S)-2-(iodomethyl)-5-methyloxolane
SMILESC[C@H]1CC[C@@H](CI)O1
InChIInChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyUORBAIPDXXLMMX-WDSKDSINSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.99
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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Related Compounds

2-Methyltetrahydrofuran
CID 7301
2,5-Dimethyltetrahydrofuran
CID 13855
Furan, 2-ethyltetrahydro-
CID 102538
2-(Iodomethyl)oxolane
CID 364860
2-(Iodomethyl)-5-methyloxolane
CID 558946
2,5-Dimethyloxolane, cis-
CID 16508
2-Methyltetrahydrofuran, (R)-
CID 641521
trans-2,5-Dimethyloxolane
CID 7567603
2-Methyltetrahydrofuran, (S)-
CID 7568485
(2S)-2-(iodomethyl)oxolane
CID 36689200
(2R)-2-(iodomethyl)oxolane
CID 40548299
(2S,5S)-2,5-dimethyloxolane
CID 7567598

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(iodomethyl)-5-methyloxolane?
The IUPAC name of (2S,5S)-2-(iodomethyl)-5-methyloxolane (CID 92860810) is (2S,5S)-2-(iodomethyl)-5-methyloxolane.
What is the SMILES notation for (2S,5S)-2-(iodomethyl)-5-methyloxolane?
The canonical SMILES for (2S,5S)-2-(iodomethyl)-5-methyloxolane is C[C@H]1CC[C@@H](CI)O1.
What is the InChIKey of (2S,5S)-2-(iodomethyl)-5-methyloxolane?
The InChIKey is UORBAIPDXXLMMX-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11IO/c1-5-2-3-6(4-7)8-5/h5-6H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-2-(iodomethyl)-5-methyloxolane?
(2S,5S)-2-(iodomethyl)-5-methyloxolane has a molecular weight of 226.06 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(iodomethyl)-5-methyloxolane is sourced from PubChem (CID 92860810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).