1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene

C6H10Cl4 — CID 18186137

IUPAC1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
SMILESCC(Cl)CCl.Cl/C=C/CCl
InChIInChI=1S/C3H6Cl2.C3H4Cl2/c1-3(5)2-4;4-2-1-3-5/h3H,2H2,1H3;1-2H,3H2/b;2-1+
InChIKeyFLWMCWWTXIAPAH-WLHGVMLRSA-N
MW223.96 g/mol
LogP3.83
Rot. Bonds2

About 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene

1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene (PubChem CID 18186137) has the molecular formula C6H10Cl4 and a molecular weight of 223.96 g/mol. Its IUPAC name is 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene.

Molecular Properties

Compound Name1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
PubChem CID18186137
Molecular FormulaC6H10Cl4
Molecular Weight223.96 g/mol
Exact Mass221.95
IUPAC Name1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene
SMILESCC(Cl)CCl.Cl/C=C/CCl
InChIInChI=1S/C3H6Cl2.C3H4Cl2/c1-3(5)2-4;4-2-1-3-5/h3H,2H2,1H3;1-2H,3H2/b;2-1+
InChIKeyFLWMCWWTXIAPAH-WLHGVMLRSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.96
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene?
The IUPAC name of 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene (CID 18186137) is 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene.
What is the SMILES notation for 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene?
The canonical SMILES for 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene is CC(Cl)CCl.Cl/C=C/CCl.
What is the InChIKey of 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene?
The InChIKey is FLWMCWWTXIAPAH-WLHGVMLRSA-N. The full InChI is InChI=1S/C3H6Cl2.C3H4Cl2/c1-3(5)2-4;4-2-1-3-5/h3H,2H2,1H3;1-2H,3H2/b;2-1+.
What are the key properties of 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene?
1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene has a molecular weight of 223.96 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloropropane;(E)-1,3-dichloroprop-1-ene is sourced from PubChem (CID 18186137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).