bis(1,1-dichloroethane);bis(1,2-dichloroethane)

C8H16Cl8 — CID 175329145

IUPACbis(1,1-dichloroethane);bis(1,2-dichloroethane)
SMILESCC(Cl)Cl.CC(Cl)Cl.ClCCCl.ClCCCl
InChIInChI=1S/4C2H4Cl2/c2*1-2(3)4;2*3-1-2-4/h2*2H,1H3;2*1-2H2
InChIKeyIXIBKCCLBIDCPM-UHFFFAOYSA-N
MW395.84 g/mol
LogP6.55
Rot. Bonds2

About bis(1,1-dichloroethane);bis(1,2-dichloroethane)

bis(1,1-dichloroethane);bis(1,2-dichloroethane) (PubChem CID 175329145) has the molecular formula C8H16Cl8 and a molecular weight of 395.84 g/mol. Its IUPAC name is bis(1,1-dichloroethane);bis(1,2-dichloroethane).

Molecular Properties

Compound Namebis(1,1-dichloroethane);bis(1,2-dichloroethane)
PubChem CID175329145
Molecular FormulaC8H16Cl8
Molecular Weight395.84 g/mol
Exact Mass391.88
IUPAC Namebis(1,1-dichloroethane);bis(1,2-dichloroethane)
SMILESCC(Cl)Cl.CC(Cl)Cl.ClCCCl.ClCCCl
InChIInChI=1S/4C2H4Cl2/c2*1-2(3)4;2*3-1-2-4/h2*2H,1H3;2*1-2H2
InChIKeyIXIBKCCLBIDCPM-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.84
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1,1-dichloroethane);bis(1,2-dichloroethane)?
The IUPAC name of bis(1,1-dichloroethane);bis(1,2-dichloroethane) (CID 175329145) is bis(1,1-dichloroethane);bis(1,2-dichloroethane).
What is the SMILES notation for bis(1,1-dichloroethane);bis(1,2-dichloroethane)?
The canonical SMILES for bis(1,1-dichloroethane);bis(1,2-dichloroethane) is CC(Cl)Cl.CC(Cl)Cl.ClCCCl.ClCCCl.
What is the InChIKey of bis(1,1-dichloroethane);bis(1,2-dichloroethane)?
The InChIKey is IXIBKCCLBIDCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4Cl2/c2*1-2(3)4;2*3-1-2-4/h2*2H,1H3;2*1-2H2.
What are the key properties of bis(1,1-dichloroethane);bis(1,2-dichloroethane)?
bis(1,1-dichloroethane);bis(1,2-dichloroethane) has a molecular weight of 395.84 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-dichloroethane);bis(1,2-dichloroethane) is sourced from PubChem (CID 175329145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).