3-iodo-2-(methoxymethoxy)prop-1-ene

C5H9IO2 — CID 10513512

IUPAC3-iodo-2-(methoxymethoxy)prop-1-ene
SMILESC=C(CI)OCOC
InChIInChI=1S/C5H9IO2/c1-5(3-6)8-4-7-2/h1,3-4H2,2H3
InChIKeyNZBUWFGPMCUWCK-UHFFFAOYSA-N
MW228.03 g/mol
LogP1.56
Rot. Bonds4

About 3-iodo-2-(methoxymethoxy)prop-1-ene

3-iodo-2-(methoxymethoxy)prop-1-ene (PubChem CID 10513512) has the molecular formula C5H9IO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is 3-iodo-2-(methoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name3-iodo-2-(methoxymethoxy)prop-1-ene
PubChem CID10513512
Molecular FormulaC5H9IO2
Molecular Weight228.03 g/mol
Exact Mass227.96
IUPAC Name3-iodo-2-(methoxymethoxy)prop-1-ene
SMILESC=C(CI)OCOC
InChIInChI=1S/C5H9IO2/c1-5(3-6)8-4-7-2/h1,3-4H2,2H3
InChIKeyNZBUWFGPMCUWCK-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(methoxymethoxy)prop-1-ene?
The IUPAC name of 3-iodo-2-(methoxymethoxy)prop-1-ene (CID 10513512) is 3-iodo-2-(methoxymethoxy)prop-1-ene.
What is the SMILES notation for 3-iodo-2-(methoxymethoxy)prop-1-ene?
The canonical SMILES for 3-iodo-2-(methoxymethoxy)prop-1-ene is C=C(CI)OCOC.
What is the InChIKey of 3-iodo-2-(methoxymethoxy)prop-1-ene?
The InChIKey is NZBUWFGPMCUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO2/c1-5(3-6)8-4-7-2/h1,3-4H2,2H3.
What are the key properties of 3-iodo-2-(methoxymethoxy)prop-1-ene?
3-iodo-2-(methoxymethoxy)prop-1-ene has a molecular weight of 228.03 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-(methoxymethoxy)prop-1-ene is sourced from PubChem (CID 10513512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).