(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane

C8H13IO2 — CID 11780513

IUPAC(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C/C=C/I)O1
InChIInChI=1S/C8H13IO2/c1-8(2)10-6-7(11-8)4-3-5-9/h3,5,7H,4,6H2,1-2H3/b5-3+/t7-/m1/s1
InChIKeyRTUBVCJEJSALPS-OHCKJTPYSA-N
MW268.09 g/mol
LogP2.48
Rot. Bonds2

About (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11780513) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11780513
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](C/C=C/I)O1
InChIInChI=1S/C8H13IO2/c1-8(2)10-6-7(11-8)4-3-5-9/h3,5,7H,4,6H2,1-2H3/b5-3+/t7-/m1/s1
InChIKeyRTUBVCJEJSALPS-OHCKJTPYSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane (CID 11780513) is (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](C/C=C/I)O1.
What is the InChIKey of (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is RTUBVCJEJSALPS-OHCKJTPYSA-N. The full InChI is InChI=1S/C8H13IO2/c1-8(2)10-6-7(11-8)4-3-5-9/h3,5,7H,4,6H2,1-2H3/b5-3+/t7-/m1/s1.
What are the key properties of (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 268.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11780513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).