[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol

C6H11IO3 — CID 76963279

IUPAC[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol
SMILESC[C@H](I)[C@@H]1OC[C@H](CO)O1
InChIInChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyLTINPJMVDKPJJI-HCWXCVPCSA-N
MW258.05 g/mol
LogP0.54
Rot. Bonds2

About [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol

[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 76963279) has the molecular formula C6H11IO3 and a molecular weight of 258.05 g/mol. Its IUPAC name is [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol
PubChem CID76963279
Molecular FormulaC6H11IO3
Molecular Weight258.05 g/mol
Exact Mass257.98
IUPAC Name[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol
SMILESC[C@H](I)[C@@H]1OC[C@H](CO)O1
InChIInChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyLTINPJMVDKPJJI-HCWXCVPCSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]ethane-1,2-diol
CID 130122273
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
molecular iodine;oxiran-2-ylmethanol
CID 159687317
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
oxiran-2-ylmethanol;propane
CID 91466926
3-methyl-1-(3-methylbutoxy)butane;oxiran-2-ylmethanol
CID 174734254
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
CID 145109293
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
(2-cyclopropyl-1,3-dioxolan-4-yl)methanol
CID 115094726
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol (CID 76963279) is [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol is C[C@H](I)[C@@H]1OC[C@H](CO)O1.
What is the InChIKey of [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is LTINPJMVDKPJJI-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3/t4-,5-,6+/m0/s1.
What are the key properties of [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol?
[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 258.05 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 76963279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).