1,1,1,21-tetrachlorohenicosane

C21H40Cl4 — CID 121232970

IUPAC1,1,1,21-tetrachlorohenicosane
SMILESClCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C21H40Cl4/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23,24)25/h1-20H2
InChIKeyZHDNOKZTZKJEJI-UHFFFAOYSA-N
MW434.36 g/mol
LogP10.01
Rot. Bonds19

About 1,1,1,21-tetrachlorohenicosane

1,1,1,21-tetrachlorohenicosane (PubChem CID 121232970) has the molecular formula C21H40Cl4 and a molecular weight of 434.36 g/mol. Its IUPAC name is 1,1,1,21-tetrachlorohenicosane.

Molecular Properties

Compound Name1,1,1,21-tetrachlorohenicosane
PubChem CID121232970
Molecular FormulaC21H40Cl4
Molecular Weight434.36 g/mol
Exact Mass432.19
IUPAC Name1,1,1,21-tetrachlorohenicosane
SMILESClCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C21H40Cl4/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23,24)25/h1-20H2
InChIKeyZHDNOKZTZKJEJI-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.36
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,12-tetrachlorododecane
CID 169446882
13-chloro-1,1,1-trimethoxytridecane
CID 150619368
7-chloroheptane-1,1,1-triol
CID 118276020
8,8,8-trichlorooctyl-λ2-stannane
CID 173499817
1,1,5-trichloro-1-fluoropentane
CID 559210
6-chloro-1,1,1-trifluorohexane
CID 54556371
1,1,1-trichlorononane
CID 6420387
alumane;1,8-dichlorooctane
CID 173313045
1-chloro-8,8-diethyldecane
CID 141051096
chloro(12,12,12-trichlorododecyl)silane
CID 151651897
fluoro(12,12,12-trichlorododecyl)silane
CID 173018377
5,5,5-trichloropentylphosphane
CID 152727751

Frequently Asked Questions

What is the IUPAC name of 1,1,1,21-tetrachlorohenicosane?
The IUPAC name of 1,1,1,21-tetrachlorohenicosane (CID 121232970) is 1,1,1,21-tetrachlorohenicosane.
What is the SMILES notation for 1,1,1,21-tetrachlorohenicosane?
The canonical SMILES for 1,1,1,21-tetrachlorohenicosane is ClCCCCCCCCCCCCCCCCCCCCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,21-tetrachlorohenicosane?
The InChIKey is ZHDNOKZTZKJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40Cl4/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23,24)25/h1-20H2.
What are the key properties of 1,1,1,21-tetrachlorohenicosane?
1,1,1,21-tetrachlorohenicosane has a molecular weight of 434.36 g/mol, XLogP of 10.01, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,21-tetrachlorohenicosane is sourced from PubChem (CID 121232970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).