(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

C10H17IO4 — CID 24806806

IUPAC(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCO[C@]1(C)OC[C@H](/C=C/I)O[C@@]1(C)OC
InChIInChI=1S/C10H17IO4/c1-9(12-3)10(2,13-4)15-8(5-6-11)7-14-9/h5-6,8H,7H2,1-4H3/b6-5+/t8-,9+,10+/m0/s1
InChIKeySOVCVTWBBWIMGL-MEAUBLJZSA-N
MW328.15 g/mol
LogP2.08
Rot. Bonds3

About (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (PubChem CID 24806806) has the molecular formula C10H17IO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
PubChem CID24806806
Molecular FormulaC10H17IO4
Molecular Weight328.15 g/mol
Exact Mass328.02
IUPAC Name(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESCO[C@]1(C)OC[C@H](/C=C/I)O[C@@]1(C)OC
InChIInChI=1S/C10H17IO4/c1-9(12-3)10(2,13-4)15-8(5-6-11)7-14-9/h5-6,8H,7H2,1-4H3/b6-5+/t8-,9+,10+/m0/s1
InChIKeySOVCVTWBBWIMGL-MEAUBLJZSA-N
XLogP2.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The IUPAC name of (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (CID 24806806) is (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is CO[C@]1(C)OC[C@H](/C=C/I)O[C@@]1(C)OC.
What is the InChIKey of (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The InChIKey is SOVCVTWBBWIMGL-MEAUBLJZSA-N. The full InChI is InChI=1S/C10H17IO4/c1-9(12-3)10(2,13-4)15-8(5-6-11)7-14-9/h5-6,8H,7H2,1-4H3/b6-5+/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane has a molecular weight of 328.15 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 24806806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).