bromomethane;ethane;toluene

C17H25Br — CID 162174228

IUPACbromomethane;ethane;toluene
SMILESCBr.CC.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/2C7H8.C2H6.CH3Br/c2*1-7-5-3-2-4-6-7;2*1-2/h2*2-6H,1H3;1-2H3;1H3
InChIKeyZOEGTGQSYCVNQJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP6.03
Rot. Bonds

About bromomethane;ethane;toluene

bromomethane;ethane;toluene (PubChem CID 162174228) has the molecular formula C17H25Br and a molecular weight of 309.29 g/mol. Its IUPAC name is bromomethane;ethane;toluene.

Molecular Properties

Compound Namebromomethane;ethane;toluene
PubChem CID162174228
Molecular FormulaC17H25Br
Molecular Weight309.29 g/mol
Exact Mass308.11
IUPAC Namebromomethane;ethane;toluene
SMILESCBr.CC.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/2C7H8.C2H6.CH3Br/c2*1-7-5-3-2-4-6-7;2*1-2/h2*2-6H,1H3;1-2H3;1H3
InChIKeyZOEGTGQSYCVNQJ-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.29
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 bromomethane;ethane;toluene?
The IUPAC name of bromomethane;ethane;toluene (CID 162174228) is bromomethane;ethane;toluene.
What is the SMILES notation for bromomethane;ethane;toluene?
The canonical SMILES for bromomethane;ethane;toluene is CBr.CC.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of bromomethane;ethane;toluene?
The InChIKey is ZOEGTGQSYCVNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.C2H6.CH3Br/c2*1-7-5-3-2-4-6-7;2*1-2/h2*2-6H,1H3;1-2H3;1H3.
What are the key properties of bromomethane;ethane;toluene?
bromomethane;ethane;toluene has a molecular weight of 309.29 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;ethane;toluene is sourced from PubChem (CID 162174228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).