chloroform;heptane;toluene

C15H25Cl3 — CID 70374828

IUPACchloroform;heptane;toluene
SMILESCCCCCCC.Cc1ccccc1.ClC(Cl)Cl
InChIInChI=1S/C7H8.C7H16.CHCl3/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;2-1(3)4/h2-6H,1H3;3-7H2,1-2H3;1H
InChIKeyCZRUMIPLSMFNRA-UHFFFAOYSA-N
MW311.72 g/mol
LogP6.96
Rot. Bonds4

About chloroform;heptane;toluene

chloroform;heptane;toluene (PubChem CID 70374828) has the molecular formula C15H25Cl3 and a molecular weight of 311.72 g/mol. Its IUPAC name is chloroform;heptane;toluene.

Molecular Properties

Compound Namechloroform;heptane;toluene
PubChem CID70374828
Molecular FormulaC15H25Cl3
Molecular Weight311.72 g/mol
Exact Mass310.10
IUPAC Namechloroform;heptane;toluene
SMILESCCCCCCC.Cc1ccccc1.ClC(Cl)Cl
InChIInChI=1S/C7H8.C7H16.CHCl3/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;2-1(3)4/h2-6H,1H3;3-7H2,1-2H3;1H
InChIKeyCZRUMIPLSMFNRA-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.72
LogP ≤ 56.96
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

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Frequently Asked Questions

What is the IUPAC name of chloroform;heptane;toluene?
The IUPAC name of chloroform;heptane;toluene (CID 70374828) is chloroform;heptane;toluene.
What is the SMILES notation for chloroform;heptane;toluene?
The canonical SMILES for chloroform;heptane;toluene is CCCCCCC.Cc1ccccc1.ClC(Cl)Cl.
What is the InChIKey of chloroform;heptane;toluene?
The InChIKey is CZRUMIPLSMFNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C7H16.CHCl3/c1-7-5-3-2-4-6-7;1-3-5-7-6-4-2;2-1(3)4/h2-6H,1H3;3-7H2,1-2H3;1H.
What are the key properties of chloroform;heptane;toluene?
chloroform;heptane;toluene has a molecular weight of 311.72 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;heptane;toluene is sourced from PubChem (CID 70374828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).