(2R,4S)-2-(iodomethyl)-4-methyloxolane

C6H11IO — CID 125455824

IUPAC(2R,4S)-2-(iodomethyl)-4-methyloxolane
SMILESC[C@@H]1CO[C@@H](CI)C1
InChIInChI=1S/C6H11IO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyHOCUMDJJBOVVGB-NTSWFWBYSA-N
MW226.06 g/mol
LogP1.85
Rot. Bonds1

About (2R,4S)-2-(iodomethyl)-4-methyloxolane

(2R,4S)-2-(iodomethyl)-4-methyloxolane (PubChem CID 125455824) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is (2R,4S)-2-(iodomethyl)-4-methyloxolane.

Molecular Properties

Compound Name(2R,4S)-2-(iodomethyl)-4-methyloxolane
PubChem CID125455824
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name(2R,4S)-2-(iodomethyl)-4-methyloxolane
SMILESC[C@@H]1CO[C@@H](CI)C1
InChIInChI=1S/C6H11IO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyHOCUMDJJBOVVGB-NTSWFWBYSA-N
XLogP1.85
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 ≤ 51.85
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

[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103
(2S,4R)-2-(methoxymethyl)-4-methyloxolane
CID 146559112
(3S,5R)-5-(iodomethyl)oxolan-3-ol
CID 67649805
(3R,5S)-5-(iodomethyl)oxolan-3-ol
CID 10998747
2-butyl-4-methyloxolane
CID 15370435
(4R)-2-(2-methoxyethyl)-4-methyloxolane
CID 145228460
(3S)-3-methyl-3-[[(4S)-4-methyloxolan-2-yl]methyl]oxolane
CID 170135732
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
(2R)-2-ethyl-5-methyloxane
CID 146845250
4-methyloxolan-2-ol
CID 11007834
2-fluoro-4-methyloxolane
CID 57195800

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(iodomethyl)-4-methyloxolane?
The IUPAC name of (2R,4S)-2-(iodomethyl)-4-methyloxolane (CID 125455824) is (2R,4S)-2-(iodomethyl)-4-methyloxolane.
What is the SMILES notation for (2R,4S)-2-(iodomethyl)-4-methyloxolane?
The canonical SMILES for (2R,4S)-2-(iodomethyl)-4-methyloxolane is C[C@@H]1CO[C@@H](CI)C1.
What is the InChIKey of (2R,4S)-2-(iodomethyl)-4-methyloxolane?
The InChIKey is HOCUMDJJBOVVGB-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11IO/c1-5-2-6(3-7)8-4-5/h5-6H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-2-(iodomethyl)-4-methyloxolane?
(2R,4S)-2-(iodomethyl)-4-methyloxolane has a molecular weight of 226.06 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(iodomethyl)-4-methyloxolane is sourced from PubChem (CID 125455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).