4,8,11,14,17,21-hexachlorotetracosane

C24H44Cl6 — CID 6537497

IUPAC4,8,11,14,17,21-hexachlorotetracosane
SMILESCCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC
InChIInChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3
InChIKeyQKUNKVYPGIOQNP-UHFFFAOYSA-N
MW545.33 g/mol
LogP10.91
Rot. Bonds21

About 4,8,11,14,17,21-hexachlorotetracosane

4,8,11,14,17,21-hexachlorotetracosane (PubChem CID 6537497) has the molecular formula C24H44Cl6 and a molecular weight of 545.33 g/mol. Its IUPAC name is 4,8,11,14,17,21-hexachlorotetracosane.

Molecular Properties

Compound Name4,8,11,14,17,21-hexachlorotetracosane
PubChem CID6537497
Molecular FormulaC24H44Cl6
Molecular Weight545.33 g/mol
Exact Mass542.16
IUPAC Name4,8,11,14,17,21-hexachlorotetracosane
SMILESCCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC
InChIInChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3
InChIKeyQKUNKVYPGIOQNP-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.33
LogP ≤ 510.91
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 4,8,11,14,17,21-hexachlorotetracosane?
The IUPAC name of 4,8,11,14,17,21-hexachlorotetracosane (CID 6537497) is 4,8,11,14,17,21-hexachlorotetracosane.
What is the SMILES notation for 4,8,11,14,17,21-hexachlorotetracosane?
The canonical SMILES for 4,8,11,14,17,21-hexachlorotetracosane is CCCC(Cl)CCCC(Cl)CCC(Cl)CCC(Cl)CCC(Cl)CCCC(Cl)CCC.
What is the InChIKey of 4,8,11,14,17,21-hexachlorotetracosane?
The InChIKey is QKUNKVYPGIOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3.
What are the key properties of 4,8,11,14,17,21-hexachlorotetracosane?
4,8,11,14,17,21-hexachlorotetracosane has a molecular weight of 545.33 g/mol, XLogP of 10.91, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,11,14,17,21-hexachlorotetracosane is sourced from PubChem (CID 6537497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).