[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol

C7H11IO3 — CID 173452777

IUPAC[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(CC=CI)O1
InChIInChI=1S/C7H11IO3/c8-3-1-2-7-10-5-6(4-9)11-7/h1,3,6-7,9H,2,4-5H2
InChIKeyDTVUVSFFCZGPMA-UHFFFAOYSA-N
MW270.07 g/mol
LogP1.06
Rot. Bonds3

About [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol

[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 173452777) has the molecular formula C7H11IO3 and a molecular weight of 270.07 g/mol. Its IUPAC name is [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol
PubChem CID173452777
Molecular FormulaC7H11IO3
Molecular Weight270.07 g/mol
Exact Mass269.98
IUPAC Name[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(CC=CI)O1
InChIInChI=1S/C7H11IO3/c8-3-1-2-7-10-5-6(4-9)11-7/h1,3,6-7,9H,2,4-5H2
InChIKeyDTVUVSFFCZGPMA-UHFFFAOYSA-N
XLogP1.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
molecular iodine;oxiran-2-ylmethanol
CID 159687317
[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 125479888
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
[4-(hydroxymethyl)-1,3-dioxolan-2-yl] formate
CID 135314566
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
[2-[[butyl(methyl)amino]methyl]-1,3-dioxolan-4-yl]methanol
CID 102005927
[2-[(E)-but-2-en-2-yl]-1,3-dioxolan-4-yl]methanol;ethane
CID 145109293
[(2R,4S)-2-[(1S)-1-iodoethyl]-1,3-dioxolan-4-yl]methanol
CID 76963279
oxiran-2-ylmethanol;propane
CID 91466926

Frequently Asked Questions

What is the IUPAC name of [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol (CID 173452777) is [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol is OCC1COC(CC=CI)O1.
What is the InChIKey of [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is DTVUVSFFCZGPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO3/c8-3-1-2-7-10-5-6(4-9)11-7/h1,3,6-7,9H,2,4-5H2.
What are the key properties of [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol?
[2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 270.07 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-iodoprop-2-enyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 173452777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).