1,1,1,12-tetrachlorododecane

C12H22Cl4 — CID 169446882

IUPAC1,1,1,12-tetrachlorododecane
SMILESClCCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C12H22Cl4/c13-11-9-7-5-3-1-2-4-6-8-10-12(14,15)16/h1-11H2
InChIKeyCRXKUMNDJGNLIH-UHFFFAOYSA-N
MW308.12 g/mol
LogP6.50
Rot. Bonds10

About 1,1,1,12-tetrachlorododecane

1,1,1,12-tetrachlorododecane (PubChem CID 169446882) has the molecular formula C12H22Cl4 and a molecular weight of 308.12 g/mol. Its IUPAC name is 1,1,1,12-tetrachlorododecane.

Molecular Properties

Compound Name1,1,1,12-tetrachlorododecane
PubChem CID169446882
Molecular FormulaC12H22Cl4
Molecular Weight308.12 g/mol
Exact Mass306.05
IUPAC Name1,1,1,12-tetrachlorododecane
SMILESClCCCCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C12H22Cl4/c13-11-9-7-5-3-1-2-4-6-8-10-12(14,15)16/h1-11H2
InChIKeyCRXKUMNDJGNLIH-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.12
LogP ≤ 56.50
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'}

Analyze 1,1,1,12-tetrachlorododecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,21-tetrachlorohenicosane
CID 121232970
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 1,1,1,12-tetrachlorododecane?
The IUPAC name of 1,1,1,12-tetrachlorododecane (CID 169446882) is 1,1,1,12-tetrachlorododecane.
What is the SMILES notation for 1,1,1,12-tetrachlorododecane?
The canonical SMILES for 1,1,1,12-tetrachlorododecane is ClCCCCCCCCCCCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,12-tetrachlorododecane?
The InChIKey is CRXKUMNDJGNLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Cl4/c13-11-9-7-5-3-1-2-4-6-8-10-12(14,15)16/h1-11H2.
What are the key properties of 1,1,1,12-tetrachlorododecane?
1,1,1,12-tetrachlorododecane has a molecular weight of 308.12 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,12-tetrachlorododecane is sourced from PubChem (CID 169446882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).