(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane

C9H15IO2 — CID 10923993

IUPAC(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane
SMILESCCC1(CC)OC[C@H](/C=C/I)O1
InChIInChI=1S/C9H15IO2/c1-3-9(4-2)11-7-8(12-9)5-6-10/h5-6,8H,3-4,7H2,1-2H3/b6-5+/t8-/m0/s1
InChIKeyXVWYNDBRQXPNJD-GJIOHYHPSA-N
MW282.12 g/mol
LogP2.87
Rot. Bonds3

About (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane

(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane (PubChem CID 10923993) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane
PubChem CID10923993
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane
SMILESCCC1(CC)OC[C@H](/C=C/I)O1
InChIInChI=1S/C9H15IO2/c1-3-9(4-2)11-7-8(12-9)5-6-10/h5-6,8H,3-4,7H2,1-2H3/b6-5+/t8-/m0/s1
InChIKeyXVWYNDBRQXPNJD-GJIOHYHPSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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
(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
4-Ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
CID 13497315

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane (CID 10923993) is (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane is CCC1(CC)OC[C@H](/C=C/I)O1.
What is the InChIKey of (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane?
The InChIKey is XVWYNDBRQXPNJD-GJIOHYHPSA-N. The full InChI is InChI=1S/C9H15IO2/c1-3-9(4-2)11-7-8(12-9)5-6-10/h5-6,8H,3-4,7H2,1-2H3/b6-5+/t8-/m0/s1.
What are the key properties of (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane?
(4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane has a molecular weight of 282.12 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-diethyl-4-[(E)-2-iodoethenyl]-1,3-dioxolane is sourced from PubChem (CID 10923993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).