(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane

C15H17IO — CID 102324958

IUPAC(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
SMILESC=C[C@H]1C[C@H](I)C[C@@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C15H17IO/c1-2-14-10-13(16)11-15(17-14)9-8-12-6-4-3-5-7-12/h2-9,13-15H,1,10-11H2/b9-8+/t13-,14-,15+/m0/s1
InChIKeyUYZLAYILLUQYKP-UWUUIOHPSA-N
MW340.20 g/mol
LogP4.24
Rot. Bonds3

About (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane

(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane (PubChem CID 102324958) has the molecular formula C15H17IO and a molecular weight of 340.20 g/mol. Its IUPAC name is (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane.

Molecular Properties

Compound Name(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
PubChem CID102324958
Molecular FormulaC15H17IO
Molecular Weight340.20 g/mol
Exact Mass340.03
IUPAC Name(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
SMILESC=C[C@H]1C[C@H](I)C[C@@H](/C=C/c2ccccc2)O1
InChIInChI=1S/C15H17IO/c1-2-14-10-13(16)11-15(17-14)9-8-12-6-4-3-5-7-12/h2-9,13-15H,1,10-11H2/b9-8+/t13-,14-,15+/m0/s1
InChIKeyUYZLAYILLUQYKP-UWUUIOHPSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 54.24
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan
CID 102575630
(2R,4R,6S)-2-ethenyl-6-[(E)-2-(2-methylphenyl)ethenyl]oxan-4-ol
CID 101353757
(1R,5R,7R)-7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 146001300
[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
CID 144592641
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(3S)-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162808864
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane?
The IUPAC name of (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane (CID 102324958) is (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane.
What is the SMILES notation for (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane?
The canonical SMILES for (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane is C=C[C@H]1C[C@H](I)C[C@@H](/C=C/c2ccccc2)O1.
What is the InChIKey of (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane?
The InChIKey is UYZLAYILLUQYKP-UWUUIOHPSA-N. The full InChI is InChI=1S/C15H17IO/c1-2-14-10-13(16)11-15(17-14)9-8-12-6-4-3-5-7-12/h2-9,13-15H,1,10-11H2/b9-8+/t13-,14-,15+/m0/s1.
What are the key properties of (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane?
(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane has a molecular weight of 340.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane is sourced from PubChem (CID 102324958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).