2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one

C10H13IO4 — CID 86240068

IUPAC2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one
SMILESO=C1C=CC(C2(CCCI)OCCO2)O1
InChIInChI=1S/C10H13IO4/c11-5-1-4-10(13-6-7-14-10)8-2-3-9(12)15-8/h2-3,8H,1,4-7H2
InChIKeyZUBGKNOAXDUYCQ-UHFFFAOYSA-N
MW324.11 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one

2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one (PubChem CID 86240068) has the molecular formula C10H13IO4 and a molecular weight of 324.11 g/mol. Its IUPAC name is 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one
PubChem CID86240068
Molecular FormulaC10H13IO4
Molecular Weight324.11 g/mol
Exact Mass323.99
IUPAC Name2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one
SMILESO=C1C=CC(C2(CCCI)OCCO2)O1
InChIInChI=1S/C10H13IO4/c11-5-1-4-10(13-6-7-14-10)8-2-3-9(12)15-8/h2-3,8H,1,4-7H2
InChIKeyZUBGKNOAXDUYCQ-UHFFFAOYSA-N
XLogP1.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
ethyl (E)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11736033
ethyl (E)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 12066275
ethyl (E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-enoate
CID 121016048
(1R,3R,6E,9R,12E,14R)-3,9,16,16-tetramethyl-4,10,15,17-tetraoxabicyclo[12.3.0]heptadeca-6,12-diene-5,11-dione
CID 13858773
methyl (E)-3-[2-[(3S)-3-acetyloxybutyl]-1,3-dioxolan-2-yl]prop-2-enoate
CID 15297896
(2R)-2-[(4R,5R)-2,2-dimethyl-5-[(2R)-5-oxo-2H-furan-2-yl]-1,3-dioxolan-4-yl]-2H-furan-5-one
CID 101237642
ethyl (E)-3-[(4S,5R)-5-[(E,6S)-6-acetyloxyhept-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 134836462
(1S,2E,6S,10E,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadeca-2,10-dien-4-one
CID 134836687
[(2S,5S)-5-(methoxymethoxy)hept-6-en-2-yl] (E)-3-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 134842946
(2S)-2-[[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one
CID 134854758
[(2R,3S)-3-acetyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl] (E)-but-2-enoate
CID 134975054

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one?
The IUPAC name of 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one (CID 86240068) is 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one.
What is the SMILES notation for 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one?
The canonical SMILES for 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one is O=C1C=CC(C2(CCCI)OCCO2)O1.
What is the InChIKey of 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one?
The InChIKey is ZUBGKNOAXDUYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO4/c11-5-1-4-10(13-6-7-14-10)8-2-3-9(12)15-8/h2-3,8H,1,4-7H2.
What are the key properties of 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one?
2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one has a molecular weight of 324.11 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-iodopropyl)-1,3-dioxolan-2-yl]-2H-furan-5-one is sourced from PubChem (CID 86240068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).