acetaldehyde;chloro(iodo)methane;chloromethyl formate

C5H9Cl2IO3 — CID 157267639

IUPACacetaldehyde;chloro(iodo)methane;chloromethyl formate
SMILESCC=O.ClCI.O=COCCl
InChIInChI=1S/C2H3ClO2.C2H4O.CH2ClI/c3-1-5-2-4;1-2-3;2-1-3/h2H,1H2;2H,1H3;1H2
InChIKeyAYEHNNQTGGEUKB-UHFFFAOYSA-N
MW314.93 g/mol
LogP2.18
Rot. Bonds2

About acetaldehyde;chloro(iodo)methane;chloromethyl formate

acetaldehyde;chloro(iodo)methane;chloromethyl formate (PubChem CID 157267639) has the molecular formula C5H9Cl2IO3 and a molecular weight of 314.93 g/mol. Its IUPAC name is acetaldehyde;chloro(iodo)methane;chloromethyl formate.

Molecular Properties

Compound Nameacetaldehyde;chloro(iodo)methane;chloromethyl formate
PubChem CID157267639
Molecular FormulaC5H9Cl2IO3
Molecular Weight314.93 g/mol
Exact Mass313.90
IUPAC Nameacetaldehyde;chloro(iodo)methane;chloromethyl formate
SMILESCC=O.ClCI.O=COCCl
InChIInChI=1S/C2H3ClO2.C2H4O.CH2ClI/c3-1-5-2-4;1-2-3;2-1-3/h2H,1H2;2H,1H3;1H2
InChIKeyAYEHNNQTGGEUKB-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodoethyl formate
CID 18329598
phosphanylmethyl formate
CID 59121577
acetaldehyde
CID 158130567
lithium;ethyl formate;hydroxide
CID 174914217
2-iodopropyl formate
CID 87289117
ethyl formate;methanol
CID 87496134
calcium;ethyl formate;dichloride
CID 174827324
[(E)-pent-3-enyl] formate
CID 14644551
acetaldehyde;stibane
CID 173001465
acetaldehyde;azane
CID 158638397
acetaldehyde;germane
CID 173117793
acetaldehyde;gold
CID 173056569

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;chloro(iodo)methane;chloromethyl formate?
The IUPAC name of acetaldehyde;chloro(iodo)methane;chloromethyl formate (CID 157267639) is acetaldehyde;chloro(iodo)methane;chloromethyl formate.
What is the SMILES notation for acetaldehyde;chloro(iodo)methane;chloromethyl formate?
The canonical SMILES for acetaldehyde;chloro(iodo)methane;chloromethyl formate is CC=O.ClCI.O=COCCl.
What is the InChIKey of acetaldehyde;chloro(iodo)methane;chloromethyl formate?
The InChIKey is AYEHNNQTGGEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClO2.C2H4O.CH2ClI/c3-1-5-2-4;1-2-3;2-1-3/h2H,1H2;2H,1H3;1H2.
What are the key properties of acetaldehyde;chloro(iodo)methane;chloromethyl formate?
acetaldehyde;chloro(iodo)methane;chloromethyl formate has a molecular weight of 314.93 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;chloro(iodo)methane;chloromethyl formate is sourced from PubChem (CID 157267639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).