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

C6H11IO3 — CID 21852

💊View drug profile → iodinated glycerol
IUPAC[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(I)C1OCC(CO)O1
InChIInChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3
InChIKeyLTINPJMVDKPJJI-UHFFFAOYSA-N
MW258.05 g/mol
LogP0.54
Rot. Bonds2

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

[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 21852) has the molecular formula C6H11IO3 and a molecular weight of 258.05 g/mol. Its IUPAC name is [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID21852
Molecular FormulaC6H11IO3
Molecular Weight258.05 g/mol
Exact Mass257.98
IUPAC Name[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(I)C1OCC(CO)O1
InChIInChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3
InChIKeyLTINPJMVDKPJJI-UHFFFAOYSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol (CID 21852) is [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol is CC(I)C1OCC(CO)O1.
What is the InChIKey of [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is LTINPJMVDKPJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO3/c1-4(7)6-9-3-5(2-8)10-6/h4-6,8H,2-3H2,1H3.
What are the key properties of [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol?
[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 258.05 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 21852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).