(2R,3S)-3-iodo-2-prop-2-enoxyoxane

C8H13IO2 — CID 15808097

IUPAC(2R,3S)-3-iodo-2-prop-2-enoxyoxane
SMILESC=CCO[C@H]1OCCC[C@@H]1I
InChIInChI=1S/C8H13IO2/c1-2-5-10-8-7(9)4-3-6-11-8/h2,7-8H,1,3-6H2/t7-,8-/m0/s1
InChIKeyOQIDIYZGNLPZSR-YUMQZZPRSA-N
MW268.09 g/mol
LogP2.13
Rot. Bonds3

About (2R,3S)-3-iodo-2-prop-2-enoxyoxane

(2R,3S)-3-iodo-2-prop-2-enoxyoxane (PubChem CID 15808097) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is (2R,3S)-3-iodo-2-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2R,3S)-3-iodo-2-prop-2-enoxyoxane
PubChem CID15808097
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name(2R,3S)-3-iodo-2-prop-2-enoxyoxane
SMILESC=CCO[C@H]1OCCC[C@@H]1I
InChIInChI=1S/C8H13IO2/c1-2-5-10-8-7(9)4-3-6-11-8/h2,7-8H,1,3-6H2/t7-,8-/m0/s1
InChIKeyOQIDIYZGNLPZSR-YUMQZZPRSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-iodo-2-prop-2-enoxyoxane?
The IUPAC name of (2R,3S)-3-iodo-2-prop-2-enoxyoxane (CID 15808097) is (2R,3S)-3-iodo-2-prop-2-enoxyoxane.
What is the SMILES notation for (2R,3S)-3-iodo-2-prop-2-enoxyoxane?
The canonical SMILES for (2R,3S)-3-iodo-2-prop-2-enoxyoxane is C=CCO[C@H]1OCCC[C@@H]1I.
What is the InChIKey of (2R,3S)-3-iodo-2-prop-2-enoxyoxane?
The InChIKey is OQIDIYZGNLPZSR-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H13IO2/c1-2-5-10-8-7(9)4-3-6-11-8/h2,7-8H,1,3-6H2/t7-,8-/m0/s1.
What are the key properties of (2R,3S)-3-iodo-2-prop-2-enoxyoxane?
(2R,3S)-3-iodo-2-prop-2-enoxyoxane has a molecular weight of 268.09 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-iodo-2-prop-2-enoxyoxane is sourced from PubChem (CID 15808097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).