pentane;tetrachloromethane

C6H12Cl4 — CID 19010369

IUPACpentane;tetrachloromethane
SMILESCCCCC.ClC(Cl)(Cl)Cl
InChIInChI=1S/C5H12.CCl4/c1-3-5-4-2;2-1(3,4)5/h3-5H2,1-2H3;
InChIKeyJQJQDMWAJOOVST-UHFFFAOYSA-N
MW225.97 g/mol
LogP4.75
Rot. Bonds2

About pentane;tetrachloromethane

pentane;tetrachloromethane (PubChem CID 19010369) has the molecular formula C6H12Cl4 and a molecular weight of 225.97 g/mol. Its IUPAC name is pentane;tetrachloromethane.

Molecular Properties

Compound Namepentane;tetrachloromethane
PubChem CID19010369
Molecular FormulaC6H12Cl4
Molecular Weight225.97 g/mol
Exact Mass223.97
IUPAC Namepentane;tetrachloromethane
SMILESCCCCC.ClC(Cl)(Cl)Cl
InChIInChI=1S/C5H12.CCl4/c1-3-5-4-2;2-1(3,4)5/h3-5H2,1-2H3;
InChIKeyJQJQDMWAJOOVST-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.97
LogP ≤ 54.75
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 pentane;tetrachloromethane?
The IUPAC name of pentane;tetrachloromethane (CID 19010369) is pentane;tetrachloromethane.
What is the SMILES notation for pentane;tetrachloromethane?
The canonical SMILES for pentane;tetrachloromethane is CCCCC.ClC(Cl)(Cl)Cl.
What is the InChIKey of pentane;tetrachloromethane?
The InChIKey is JQJQDMWAJOOVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.CCl4/c1-3-5-4-2;2-1(3,4)5/h3-5H2,1-2H3;.
What are the key properties of pentane;tetrachloromethane?
pentane;tetrachloromethane has a molecular weight of 225.97 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;tetrachloromethane is sourced from PubChem (CID 19010369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).