2-(1-iodoethoxymethyl)oxirane

C5H9IO2 — CID 89194519

IUPAC2-(1-iodoethoxymethyl)oxirane
SMILESCC(I)OCC1CO1
InChIInChI=1S/C5H9IO2/c1-4(6)7-2-5-3-8-5/h4-5H,2-3H2,1H3
InChIKeyNMOHXCMZCUZGQT-UHFFFAOYSA-N
MW228.03 g/mol
LogP1.18
Rot. Bonds3

About 2-(1-iodoethoxymethyl)oxirane

2-(1-iodoethoxymethyl)oxirane (PubChem CID 89194519) has the molecular formula C5H9IO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is 2-(1-iodoethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(1-iodoethoxymethyl)oxirane
PubChem CID89194519
Molecular FormulaC5H9IO2
Molecular Weight228.03 g/mol
Exact Mass227.96
IUPAC Name2-(1-iodoethoxymethyl)oxirane
SMILESCC(I)OCC1CO1
InChIInChI=1S/C5H9IO2/c1-4(6)7-2-5-3-8-5/h4-5H,2-3H2,1H3
InChIKeyNMOHXCMZCUZGQT-UHFFFAOYSA-N
XLogP1.18
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
2-(1-bromoethoxymethyl)oxirane
CID 20568723
2-[2-(oxiran-2-ylmethoxy)pentan-3-yloxymethyl]oxirane
CID 101275344
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-(hex-4-en-2-yloxymethyl)oxirane
CID 89335517
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-[(1-chloro-5-methylhexan-2-yl)oxymethyl]oxirane
CID 71384390
2-(oxiran-2-ylmethoxy)hexan-3-amine
CID 163429320
2-[1-[4-[1-(2-methylbutoxy)ethoxy]butoxy]ethoxymethyl]oxirane
CID 88931342

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethoxymethyl)oxirane?
The IUPAC name of 2-(1-iodoethoxymethyl)oxirane (CID 89194519) is 2-(1-iodoethoxymethyl)oxirane.
What is the SMILES notation for 2-(1-iodoethoxymethyl)oxirane?
The canonical SMILES for 2-(1-iodoethoxymethyl)oxirane is CC(I)OCC1CO1.
What is the InChIKey of 2-(1-iodoethoxymethyl)oxirane?
The InChIKey is NMOHXCMZCUZGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO2/c1-4(6)7-2-5-3-8-5/h4-5H,2-3H2,1H3.
What are the key properties of 2-(1-iodoethoxymethyl)oxirane?
2-(1-iodoethoxymethyl)oxirane has a molecular weight of 228.03 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethoxymethyl)oxirane is sourced from PubChem (CID 89194519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).