benzene-1,3,5-tricarbonyl chloride;cyclohexane

C15H15Cl3O3 — CID 174669579

IUPACbenzene-1,3,5-tricarbonyl chloride;cyclohexane
SMILESC1CCCCC1.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C9H3Cl3O3.C6H12/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;1-2-4-6-5-3-1/h1-3H;1-6H2
InChIKeyZKGXFUPNGJNPAL-UHFFFAOYSA-N
MW349.64 g/mol
LogP5.16
Rot. Bonds3

About benzene-1,3,5-tricarbonyl chloride;cyclohexane

benzene-1,3,5-tricarbonyl chloride;cyclohexane (PubChem CID 174669579) has the molecular formula C15H15Cl3O3 and a molecular weight of 349.64 g/mol. Its IUPAC name is benzene-1,3,5-tricarbonyl chloride;cyclohexane.

Molecular Properties

Compound Namebenzene-1,3,5-tricarbonyl chloride;cyclohexane
PubChem CID174669579
Molecular FormulaC15H15Cl3O3
Molecular Weight349.64 g/mol
Exact Mass348.01
IUPAC Namebenzene-1,3,5-tricarbonyl chloride;cyclohexane
SMILESC1CCCCC1.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C9H3Cl3O3.C6H12/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;1-2-4-6-5-3-1/h1-3H;1-6H2
InChIKeyZKGXFUPNGJNPAL-UHFFFAOYSA-N
XLogP5.16
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzoyl chloride
CID 7412
Isophthaloyl chloride
CID 7451
Terephthaloyl chloride
CID 7488
Phthaloyl chloride
CID 6955
3-Methylbenzoyl chloride
CID 74375
Trimesoyl chloride
CID 78138
3,5-Dimethylbenzoyl Chloride
CID 81088
[1,1'-Biphenyl]-4,4'-dicarbonyl dichloride
CID 75374
4-Phenylbenzoyl chloride
CID 84151
4-Butylbenzoyl chloride
CID 120049
4-(Chloromethyl)benzoyl chloride
CID 70136
4-Ethylbenzoyl chloride
CID 85368

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarbonyl chloride;cyclohexane?
The IUPAC name of benzene-1,3,5-tricarbonyl chloride;cyclohexane (CID 174669579) is benzene-1,3,5-tricarbonyl chloride;cyclohexane.
What is the SMILES notation for benzene-1,3,5-tricarbonyl chloride;cyclohexane?
The canonical SMILES for benzene-1,3,5-tricarbonyl chloride;cyclohexane is C1CCCCC1.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1.
What is the InChIKey of benzene-1,3,5-tricarbonyl chloride;cyclohexane?
The InChIKey is ZKGXFUPNGJNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3O3.C6H12/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;1-2-4-6-5-3-1/h1-3H;1-6H2.
What are the key properties of benzene-1,3,5-tricarbonyl chloride;cyclohexane?
benzene-1,3,5-tricarbonyl chloride;cyclohexane has a molecular weight of 349.64 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarbonyl chloride;cyclohexane is sourced from PubChem (CID 174669579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).