(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane

C9H15IO2 — CID 11426038

IUPAC(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane
SMILESC/C(=C\I)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C9H15IO2/c1-6(5-10)8-7(2)11-9(3,4)12-8/h5,7-8H,1-4H3/b6-5+/t7-,8-/m1/s1
InChIKeyAIBZSELLYDSUAP-ZZTMBZGHSA-N
MW282.12 g/mol
LogP2.87
Rot. Bonds1

About (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane

(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane (PubChem CID 11426038) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane
PubChem CID11426038
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane
SMILESC/C(=C\I)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C9H15IO2/c1-6(5-10)8-7(2)11-9(3,4)12-8/h5,7-8H,1-4H3/b6-5+/t7-,8-/m1/s1
InChIKeyAIBZSELLYDSUAP-ZZTMBZGHSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane (CID 11426038) is (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane is C/C(=C\I)[C@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane?
The InChIKey is AIBZSELLYDSUAP-ZZTMBZGHSA-N. The full InChI is InChI=1S/C9H15IO2/c1-6(5-10)8-7(2)11-9(3,4)12-8/h5,7-8H,1-4H3/b6-5+/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane?
(4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane has a molecular weight of 282.12 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(E)-1-iodoprop-1-en-2-yl]-2,2,5-trimethyl-1,3-dioxolane is sourced from PubChem (CID 11426038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).