(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane

C6H10Cl4O — CID 95858502

IUPAC(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
SMILESClC[C@@H](Cl)COC[C@@H](Cl)CCl
InChIInChI=1S/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2/t5-,6+
InChIKeyDWUVEXODBSOVSX-OLQVQODUSA-N
MW239.96 g/mol
LogP2.70
Rot. Bonds6

About (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane

(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane (PubChem CID 95858502) has the molecular formula C6H10Cl4O and a molecular weight of 239.96 g/mol. Its IUPAC name is (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane.

Molecular Properties

Compound Name(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
PubChem CID95858502
Molecular FormulaC6H10Cl4O
Molecular Weight239.96 g/mol
Exact Mass237.95
IUPAC Name(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane
SMILESClC[C@@H](Cl)COC[C@@H](Cl)CCl
InChIInChI=1S/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2/t5-,6+
InChIKeyDWUVEXODBSOVSX-OLQVQODUSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane?
The IUPAC name of (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane (CID 95858502) is (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane.
What is the SMILES notation for (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane?
The canonical SMILES for (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane is ClC[C@@H](Cl)COC[C@@H](Cl)CCl.
What is the InChIKey of (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane?
The InChIKey is DWUVEXODBSOVSX-OLQVQODUSA-N. The full InChI is InChI=1S/C6H10Cl4O/c7-1-5(9)3-11-4-6(10)2-8/h5-6H,1-4H2/t5-,6+.
What are the key properties of (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane?
(2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane has a molecular weight of 239.96 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dichloro-3-[(2R)-2,3-dichloropropoxy]propane is sourced from PubChem (CID 95858502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).