1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane

C10H10Cl10 — CID 71370874

IUPAC1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
SMILESClC1(Cl)CCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C10H10Cl10/c11-6(12)4-2-1-3-5-7(13,14)9(17,18)10(19,20)8(6,15)16/h1-5H2
InChIKeyVPKFJSDWUMREPL-UHFFFAOYSA-N
MW484.72 g/mol
LogP7.82
Rot. Bonds

About 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane

1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane (PubChem CID 71370874) has the molecular formula C10H10Cl10 and a molecular weight of 484.72 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
PubChem CID71370874
Molecular FormulaC10H10Cl10
Molecular Weight484.72 g/mol
Exact Mass479.77
IUPAC Name1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
SMILESClC1(Cl)CCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C10H10Cl10/c11-6(12)4-2-1-3-5-7(13,14)9(17,18)10(19,20)8(6,15)16/h1-5H2
InChIKeyVPKFJSDWUMREPL-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 57.82
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

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1,1-dichlorocyclooctane
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2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
CID 13412659
platinum;2,2,3,3-tetrachlorocyclohexane-1,1-diamine
CID 88701201
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
1-chloro-1-methylcyclotridecane
CID 71082065
1,1-dichlorocyclopentane;dihydrochloride
CID 146484844
1-chloro-1-nitrosocyclododecane
CID 12551889
1-chloro-1-nitrosocyclopentadecane
CID 71360750
2,2-dichlorocyclopentane-1,1-diamine;platinum
CID 88780620
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
spiro[5.6]dodecan-12-amine
CID 15021866

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane (CID 71370874) is 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane is ClC1(Cl)CCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane?
The InChIKey is VPKFJSDWUMREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl10/c11-6(12)4-2-1-3-5-7(13,14)9(17,18)10(19,20)8(6,15)16/h1-5H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane?
1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane has a molecular weight of 484.72 g/mol, XLogP of 7.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane is sourced from PubChem (CID 71370874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).