2,3-dichloro-2-methylpropanal

C4H6Cl2O — CID 25003

IUPAC2,3-dichloro-2-methylpropanal
SMILESCC(Cl)(C=O)CCl
InChIInChI=1S/C4H6Cl2O/c1-4(6,2-5)3-7/h3H,2H2,1H3
InChIKeyHWRRRIKZPDRSFG-UHFFFAOYSA-N
MW141.00 g/mol
LogP1.42
Rot. Bonds2

About 2,3-dichloro-2-methylpropanal

2,3-dichloro-2-methylpropanal (PubChem CID 25003) has the molecular formula C4H6Cl2O and a molecular weight of 141.00 g/mol. Its IUPAC name is 2,3-dichloro-2-methylpropanal.

Molecular Properties

Compound Name2,3-dichloro-2-methylpropanal
PubChem CID25003
Molecular FormulaC4H6Cl2O
Molecular Weight141.00 g/mol
Exact Mass139.98
IUPAC Name2,3-dichloro-2-methylpropanal
SMILESCC(Cl)(C=O)CCl
InChIInChI=1S/C4H6Cl2O/c1-4(6,2-5)3-7/h3H,2H2,1H3
InChIKeyHWRRRIKZPDRSFG-UHFFFAOYSA-N
XLogP1.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.42
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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Related Compounds

2,3-Dichloropropionaldehyde
CID 93058
2,2,3-Trichlorobutanal
CID 64686
2-Chlorobutanal
CID 10975430
2,3-Dichlorobutanal
CID 151306
(2S)-2-chlorobutanal
CID 11217236
(2R)-2-chlorobutanal
CID 96004132
Trichlorobutanal
CID 51381000
3-Chloro-2-(chloromethyl)propanal
CID 17868757
3-Chloro-2-(chloromethyl)-2-methylpropanal
CID 19788375
3,3-Dichloro-2-methylpropanal
CID 19847181
2,3,3,3-Tetrachloro-2-methylpropanal
CID 19893108
2,3,4-Trichlorobutanal
CID 19899533

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-2-methylpropanal?
The IUPAC name of 2,3-dichloro-2-methylpropanal (CID 25003) is 2,3-dichloro-2-methylpropanal.
What is the SMILES notation for 2,3-dichloro-2-methylpropanal?
The canonical SMILES for 2,3-dichloro-2-methylpropanal is CC(Cl)(C=O)CCl.
What is the InChIKey of 2,3-dichloro-2-methylpropanal?
The InChIKey is HWRRRIKZPDRSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O/c1-4(6,2-5)3-7/h3H,2H2,1H3.
What are the key properties of 2,3-dichloro-2-methylpropanal?
2,3-dichloro-2-methylpropanal has a molecular weight of 141.00 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2-methylpropanal is sourced from PubChem (CID 25003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).