acetaldehyde;1,1-dichloroethane

C4H8Cl2O — CID 162012044

IUPACacetaldehyde;1,1-dichloroethane
SMILESCC(Cl)Cl.CC=O
InChIInChI=1S/C2H4Cl2.C2H4O/c1-2(3)4;1-2-3/h2H,1H3;2H,1H3
InChIKeyYTPLWALHMOSEEX-UHFFFAOYSA-N
MW143.01 g/mol
LogP2.02
Rot. Bonds

About acetaldehyde;1,1-dichloroethane

acetaldehyde;1,1-dichloroethane (PubChem CID 162012044) has the molecular formula C4H8Cl2O and a molecular weight of 143.01 g/mol. Its IUPAC name is acetaldehyde;1,1-dichloroethane.

Molecular Properties

Compound Nameacetaldehyde;1,1-dichloroethane
PubChem CID162012044
Molecular FormulaC4H8Cl2O
Molecular Weight143.01 g/mol
Exact Mass142.00
IUPAC Nameacetaldehyde;1,1-dichloroethane
SMILESCC(Cl)Cl.CC=O
InChIInChI=1S/C2H4Cl2.C2H4O/c1-2(3)4;1-2-3/h2H,1H3;2H,1H3
InChIKeyYTPLWALHMOSEEX-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.01
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1,1-dichloroethane?
The IUPAC name of acetaldehyde;1,1-dichloroethane (CID 162012044) is acetaldehyde;1,1-dichloroethane.
What is the SMILES notation for acetaldehyde;1,1-dichloroethane?
The canonical SMILES for acetaldehyde;1,1-dichloroethane is CC(Cl)Cl.CC=O.
What is the InChIKey of acetaldehyde;1,1-dichloroethane?
The InChIKey is YTPLWALHMOSEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2.C2H4O/c1-2(3)4;1-2-3/h2H,1H3;2H,1H3.
What are the key properties of acetaldehyde;1,1-dichloroethane?
acetaldehyde;1,1-dichloroethane has a molecular weight of 143.01 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1,1-dichloroethane is sourced from PubChem (CID 162012044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).