2-chloro-2-methylpropane;toluene

C11H17Cl — CID 67707971

IUPAC2-chloro-2-methylpropane;toluene
SMILESCC(C)(C)Cl.Cc1ccccc1
InChIInChI=1S/C7H8.C4H9Cl/c1-7-5-3-2-4-6-7;1-4(2,3)5/h2-6H,1H3;1-3H3
InChIKeyGYALLFFIBVNRRU-UHFFFAOYSA-N
MW184.71 g/mol
LogP4.02
Rot. Bonds

About 2-chloro-2-methylpropane;toluene

2-chloro-2-methylpropane;toluene (PubChem CID 67707971) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 2-chloro-2-methylpropane;toluene.

Molecular Properties

Compound Name2-chloro-2-methylpropane;toluene
PubChem CID67707971
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name2-chloro-2-methylpropane;toluene
SMILESCC(C)(C)Cl.Cc1ccccc1
InChIInChI=1S/C7H8.C4H9Cl/c1-7-5-3-2-4-6-7;1-4(2,3)5/h2-6H,1H3;1-3H3
InChIKeyGYALLFFIBVNRRU-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 54.02
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 2-chloro-2-methylpropane;toluene?
The IUPAC name of 2-chloro-2-methylpropane;toluene (CID 67707971) is 2-chloro-2-methylpropane;toluene.
What is the SMILES notation for 2-chloro-2-methylpropane;toluene?
The canonical SMILES for 2-chloro-2-methylpropane;toluene is CC(C)(C)Cl.Cc1ccccc1.
What is the InChIKey of 2-chloro-2-methylpropane;toluene?
The InChIKey is GYALLFFIBVNRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H9Cl/c1-7-5-3-2-4-6-7;1-4(2,3)5/h2-6H,1H3;1-3H3.
What are the key properties of 2-chloro-2-methylpropane;toluene?
2-chloro-2-methylpropane;toluene has a molecular weight of 184.71 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylpropane;toluene is sourced from PubChem (CID 67707971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).