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

C9H13IO2 — CID 10588789

IUPAC(4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1/C=C/I
InChIInChI=1S/C9H13IO2/c1-4-7-8(5-6-10)12-9(2,3)11-7/h4-8H,1H2,2-3H3/b6-5+/t7-,8+/m1/s1
InChIKeyFURSYKOUENLYRK-KTERXBQFSA-N
MW280.11 g/mol
LogP2.64
Rot. Bonds2

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

(4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 10588789) has the molecular formula C9H13IO2 and a molecular weight of 280.11 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID10588789
Molecular FormulaC9H13IO2
Molecular Weight280.11 g/mol
Exact Mass280.00
IUPAC Name(4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1/C=C/I
InChIInChI=1S/C9H13IO2/c1-4-7-8(5-6-10)12-9(2,3)11-7/h4-8H,1H2,2-3H3/b6-5+/t7-,8+/m1/s1
InChIKeyFURSYKOUENLYRK-KTERXBQFSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950264
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
2,4,5-Triethenyl-1,3-dioxolane
CID 71438911
(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 24806806
(4R,5R)-4-ethenyl-5-(iodomethyl)-2,2-dimethyl-1,3-dioxolane
CID 60172252
(4S)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 132575048
(4R)-4-[(E)-2-iodoethenyl]-2,2,4-trimethyl-1,3-dioxolane
CID 135018635
(4S,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 178325740
2,2-Dimethyl-4-vinyl-1,3-dioxolane
CID 2735023
(4R)-4-ethenyl-2,2-dimethyl-1,3-dioxolane
CID 6950263
(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
CID 11780513
4-butyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane
CID 12833940

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane (CID 10588789) is (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane is C=C[C@H]1OC(C)(C)O[C@H]1/C=C/I.
What is the InChIKey of (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FURSYKOUENLYRK-KTERXBQFSA-N. The full InChI is InChI=1S/C9H13IO2/c1-4-7-8(5-6-10)12-9(2,3)11-7/h4-8H,1H2,2-3H3/b6-5+/t7-,8+/m1/s1.
What are the key properties of (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 280.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-ethenyl-5-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 10588789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).