(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol

C7H13IO2 — CID 102173518

IUPAC(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol
SMILESC[C@H]1C[C@@H](O)C[C@@H](CI)O1
InChIInChI=1S/C7H13IO2/c1-5-2-6(9)3-7(4-8)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyMSFYEHLHBNTKEB-XVMARJQXSA-N
MW256.08 g/mol
LogP1.35
Rot. Bonds1

About (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol

(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol (PubChem CID 102173518) has the molecular formula C7H13IO2 and a molecular weight of 256.08 g/mol. Its IUPAC name is (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol
PubChem CID102173518
Molecular FormulaC7H13IO2
Molecular Weight256.08 g/mol
Exact Mass256.00
IUPAC Name(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol
SMILESC[C@H]1C[C@@H](O)C[C@@H](CI)O1
InChIInChI=1S/C7H13IO2/c1-5-2-6(9)3-7(4-8)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyMSFYEHLHBNTKEB-XVMARJQXSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 51.35
H-Bond Donors ≤ 51
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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Related Compounds

2-(fluoromethyl)-6-methyloxan-4-ol
CID 142172461
ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142157408
(3R,5S)-5-(iodomethyl)oxolan-3-ol
CID 10998747
(3S,5R)-5-(iodomethyl)oxolan-3-ol
CID 67649805
(2R,4S,6R)-2-ethenyl-6-methyloxan-4-ol
CID 138966744
[(4S)-4,6-dimethyloxan-2-yl]methanol
CID 59821303
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
ethyl 2-[(2S,4R,6S)-4-hydroxy-6-methyloxan-2-yl]propanoate
CID 101136322
(2R,4S)-2-(iodomethyl)-4-methyloxolane
CID 125455824
(2S)-6-(hydroxymethyl)oxane-2,4-diol
CID 147942620
(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine
CID 142521463
2-(iodomethyl)-6-methyl-4-(2-methylpropyl)morpholine
CID 129095828

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol?
The IUPAC name of (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol (CID 102173518) is (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol?
The canonical SMILES for (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol is C[C@H]1C[C@@H](O)C[C@@H](CI)O1.
What is the InChIKey of (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol?
The InChIKey is MSFYEHLHBNTKEB-XVMARJQXSA-N. The full InChI is InChI=1S/C7H13IO2/c1-5-2-6(9)3-7(4-8)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol?
(2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol has a molecular weight of 256.08 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-(iodomethyl)-6-methyloxan-4-ol is sourced from PubChem (CID 102173518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).