1,1-dichloroethane;1,2-dichloroethane;hexane

C10H22Cl4 — CID 175301802

IUPAC1,1-dichloroethane;1,2-dichloroethane;hexane
SMILESCC(Cl)Cl.CCCCCC.ClCCCl
InChIInChI=1S/C6H14.2C2H4Cl2/c1-3-5-6-4-2;1-2(3)4;3-1-2-4/h3-6H2,1-2H3;2H,1H3;1-2H2
InChIKeyRMOFSVHNQVUEPU-UHFFFAOYSA-N
MW284.10 g/mol
LogP5.86
Rot. Bonds4

About 1,1-dichloroethane;1,2-dichloroethane;hexane

1,1-dichloroethane;1,2-dichloroethane;hexane (PubChem CID 175301802) has the molecular formula C10H22Cl4 and a molecular weight of 284.10 g/mol. Its IUPAC name is 1,1-dichloroethane;1,2-dichloroethane;hexane.

Molecular Properties

Compound Name1,1-dichloroethane;1,2-dichloroethane;hexane
PubChem CID175301802
Molecular FormulaC10H22Cl4
Molecular Weight284.10 g/mol
Exact Mass282.05
IUPAC Name1,1-dichloroethane;1,2-dichloroethane;hexane
SMILESCC(Cl)Cl.CCCCCC.ClCCCl
InChIInChI=1S/C6H14.2C2H4Cl2/c1-3-5-6-4-2;1-2(3)4;3-1-2-4/h3-6H2,1-2H3;2H,1H3;1-2H2
InChIKeyRMOFSVHNQVUEPU-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.10
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloropentane;2-methylpropane
CID 174338226
1-chloropentane;2-methylpropane;hydrobromide
CID 174554463
1-chlorobutane;chloroform
CID 88838918
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
chloroform;pentane
CID 19858055
ethane;hexane;2-methylpropane
CID 143834457
1-chlorobutane
CID 8005

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethane;1,2-dichloroethane;hexane?
The IUPAC name of 1,1-dichloroethane;1,2-dichloroethane;hexane (CID 175301802) is 1,1-dichloroethane;1,2-dichloroethane;hexane.
What is the SMILES notation for 1,1-dichloroethane;1,2-dichloroethane;hexane?
The canonical SMILES for 1,1-dichloroethane;1,2-dichloroethane;hexane is CC(Cl)Cl.CCCCCC.ClCCCl.
What is the InChIKey of 1,1-dichloroethane;1,2-dichloroethane;hexane?
The InChIKey is RMOFSVHNQVUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C2H4Cl2/c1-3-5-6-4-2;1-2(3)4;3-1-2-4/h3-6H2,1-2H3;2H,1H3;1-2H2.
What are the key properties of 1,1-dichloroethane;1,2-dichloroethane;hexane?
1,1-dichloroethane;1,2-dichloroethane;hexane has a molecular weight of 284.10 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethane;1,2-dichloroethane;hexane is sourced from PubChem (CID 175301802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).