1,1-dichloroethane;1,4-xylene

C10H14Cl2 — CID 70558607

IUPAC1,1-dichloroethane;1,4-xylene
SMILESCC(Cl)Cl.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C2H4Cl2/c1-7-3-5-8(2)6-4-7;1-2(3)4/h3-6H,1-2H3;2H,1H3
InChIKeyVVEAIEPEFYMUAT-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.11
Rot. Bonds

About 1,1-dichloroethane;1,4-xylene

1,1-dichloroethane;1,4-xylene (PubChem CID 70558607) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 1,1-dichloroethane;1,4-xylene.

Molecular Properties

Compound Name1,1-dichloroethane;1,4-xylene
PubChem CID70558607
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name1,1-dichloroethane;1,4-xylene
SMILESCC(Cl)Cl.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C2H4Cl2/c1-7-3-5-8(2)6-4-7;1-2(3)4/h3-6H,1-2H3;2H,1H3
InChIKeyVVEAIEPEFYMUAT-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 54.11
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 1,1-dichloroethane;1,4-xylene?
The IUPAC name of 1,1-dichloroethane;1,4-xylene (CID 70558607) is 1,1-dichloroethane;1,4-xylene.
What is the SMILES notation for 1,1-dichloroethane;1,4-xylene?
The canonical SMILES for 1,1-dichloroethane;1,4-xylene is CC(Cl)Cl.Cc1ccc(C)cc1.
What is the InChIKey of 1,1-dichloroethane;1,4-xylene?
The InChIKey is VVEAIEPEFYMUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H4Cl2/c1-7-3-5-8(2)6-4-7;1-2(3)4/h3-6H,1-2H3;2H,1H3.
What are the key properties of 1,1-dichloroethane;1,4-xylene?
1,1-dichloroethane;1,4-xylene has a molecular weight of 205.13 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethane;1,4-xylene is sourced from PubChem (CID 70558607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).