octanoyl chloride;toluene

C15H23ClO — CID 175179204

IUPACoctanoyl chloride;toluene
SMILESCCCCCCCC(=O)Cl.Cc1ccccc1
InChIInChI=1S/C8H15ClO.C7H8/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-2-4-6-7/h2-7H2,1H3;2-6H,1H3
InChIKeyBKZCUUUYKFJKKQ-UHFFFAOYSA-N
MW254.80 g/mol
LogP5.11
Rot. Bonds6

About octanoyl chloride;toluene

octanoyl chloride;toluene (PubChem CID 175179204) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is octanoyl chloride;toluene.

Molecular Properties

Compound Nameoctanoyl chloride;toluene
PubChem CID175179204
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Nameoctanoyl chloride;toluene
SMILESCCCCCCCC(=O)Cl.Cc1ccccc1
InChIInChI=1S/C8H15ClO.C7H8/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-2-4-6-7/h2-7H2,1H3;2-6H,1H3
InChIKeyBKZCUUUYKFJKKQ-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.80
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-octadec-9-enoyl chloride;toluene
CID 175284175
benzene;hexanoyl chloride
CID 174698331
bis(heptane);toluene
CID 157306102
benzene;heptane;hexane;toluene
CID 160959480
nonadecanoyl chloride
CID 4250939
ethane;heptane;toluene
CID 145106448
decane;sulfane;toluene
CID 157105742
chlorobenzene;pentanoyl chloride
CID 174976374
chloroform;heptane;toluene
CID 70374828
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
hexanoic acid;1,4-xylene
CID 23205671
cyclohexane;octanoyl chloride
CID 175478267

Frequently Asked Questions

What is the IUPAC name of octanoyl chloride;toluene?
The IUPAC name of octanoyl chloride;toluene (CID 175179204) is octanoyl chloride;toluene.
What is the SMILES notation for octanoyl chloride;toluene?
The canonical SMILES for octanoyl chloride;toluene is CCCCCCCC(=O)Cl.Cc1ccccc1.
What is the InChIKey of octanoyl chloride;toluene?
The InChIKey is BKZCUUUYKFJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO.C7H8/c1-2-3-4-5-6-7-8(9)10;1-7-5-3-2-4-6-7/h2-7H2,1H3;2-6H,1H3.
What are the key properties of octanoyl chloride;toluene?
octanoyl chloride;toluene has a molecular weight of 254.80 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octanoyl chloride;toluene is sourced from PubChem (CID 175179204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).