2,3,6,9-tetrachlorodecane

C10H18Cl4 — CID 146677823

IUPAC2,3,6,9-tetrachlorodecane
SMILESCC(Cl)CCC(Cl)CCC(Cl)C(C)Cl
InChIInChI=1S/C10H18Cl4/c1-7(11)3-4-9(13)5-6-10(14)8(2)12/h7-10H,3-6H2,1-2H3
InChIKeyHYJQVXHUENYDAK-UHFFFAOYSA-N
MW280.07 g/mol
LogP5.02
Rot. Bonds7

About 2,3,6,9-tetrachlorodecane

2,3,6,9-tetrachlorodecane (PubChem CID 146677823) has the molecular formula C10H18Cl4 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2,3,6,9-tetrachlorodecane.

Molecular Properties

Compound Name2,3,6,9-tetrachlorodecane
PubChem CID146677823
Molecular FormulaC10H18Cl4
Molecular Weight280.07 g/mol
Exact Mass278.02
IUPAC Name2,3,6,9-tetrachlorodecane
SMILESCC(Cl)CCC(Cl)CCC(Cl)C(C)Cl
InChIInChI=1S/C10H18Cl4/c1-7(11)3-4-9(13)5-6-10(14)8(2)12/h7-10H,3-6H2,1-2H3
InChIKeyHYJQVXHUENYDAK-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.07
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,6,9-tetrachlorodecane 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

CID 6537497
CID 6537497
CID 8142
CID 8142
CID 8192
CID 8192
CID 12347
CID 12347
CID 13848
CID 13848
CID 17043
CID 17043
CID 22833489
CID 22833489
CID 17185
CID 17185
CID 75102
CID 75102
CID 13191
CID 13191
CID 75101
CID 75101
CID 33575
CID 33575

Frequently Asked Questions

What is the IUPAC name of 2,3,6,9-tetrachlorodecane?
The IUPAC name of 2,3,6,9-tetrachlorodecane (CID 146677823) is 2,3,6,9-tetrachlorodecane.
What is the SMILES notation for 2,3,6,9-tetrachlorodecane?
The canonical SMILES for 2,3,6,9-tetrachlorodecane is CC(Cl)CCC(Cl)CCC(Cl)C(C)Cl.
What is the InChIKey of 2,3,6,9-tetrachlorodecane?
The InChIKey is HYJQVXHUENYDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl4/c1-7(11)3-4-9(13)5-6-10(14)8(2)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,3,6,9-tetrachlorodecane?
2,3,6,9-tetrachlorodecane has a molecular weight of 280.07 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,9-tetrachlorodecane is sourced from PubChem (CID 146677823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).