2,5,6,9-tetrachlorodecane

C10H18Cl4 — CID 86195617

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

About 2,5,6,9-tetrachlorodecane

2,5,6,9-tetrachlorodecane (PubChem CID 86195617) has the molecular formula C10H18Cl4 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2,5,6,9-tetrachlorodecane.

Molecular Properties

Compound Name2,5,6,9-tetrachlorodecane
PubChem CID86195617
Molecular FormulaC10H18Cl4
Molecular Weight280.07 g/mol
Exact Mass278.02
IUPAC Name2,5,6,9-tetrachlorodecane
SMILESCC(Cl)CCC(Cl)C(Cl)CCC(C)Cl
InChIInChI=1S/C10H18Cl4/c1-7(11)3-5-9(13)10(14)6-4-8(2)12/h7-10H,3-6H2,1-2H3
InChIKeyOTTBQUOPYQBUAQ-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'}

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Related Compounds

2,3,6,9-tetrachlorodecane
CID 146677823
2,5-dichlorooctane
CID 56987607
dichloro(2,8-dichlorononan-5-yl)silane
CID 158300528
2,5-dichlorohexanoic acid
CID 101280267
2-chloro-9-methyldecane
CID 174557182
chloro-(3-chlorobutyl)-dimethylsilane
CID 22227198
(2R,3R)-2,3-dichloropentane
CID 6431009
3-chlorobutyl(trifluoro)boranuide
CID 55266108
(4S)-7-chloro-1-fluoro-4-iodooctane
CID 138749485
azane;2-chloropentadecane
CID 88746937
3-chloro-1-methylsulfonylbutane
CID 14169981
(7S)-7-chlorooctan-1-ol
CID 139766875

Frequently Asked Questions

What is the IUPAC name of 2,5,6,9-tetrachlorodecane?
The IUPAC name of 2,5,6,9-tetrachlorodecane (CID 86195617) is 2,5,6,9-tetrachlorodecane.
What is the SMILES notation for 2,5,6,9-tetrachlorodecane?
The canonical SMILES for 2,5,6,9-tetrachlorodecane is CC(Cl)CCC(Cl)C(Cl)CCC(C)Cl.
What is the InChIKey of 2,5,6,9-tetrachlorodecane?
The InChIKey is OTTBQUOPYQBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl4/c1-7(11)3-5-9(13)10(14)6-4-8(2)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 2,5,6,9-tetrachlorodecane?
2,5,6,9-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 2,5,6,9-tetrachlorodecane is sourced from PubChem (CID 86195617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).