1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane

C15Cl30 — CID 88757589

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane
SMILESClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C15Cl30/c16-1(4(21,22)7(27,28)13(39,40)14(41,42)15(43,44)45)2(17,18)5(23,24)8(29,30)10(33,34)12(37,38)11(35,36)9(31,32)6(25,26)3(1,19)20
InChIKeyRELWHXJUEVLWFL-UHFFFAOYSA-N
MW1243.75 g/mol
LogP17.61
Rot. Bonds4

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane (PubChem CID 88757589) has the molecular formula C15Cl30 and a molecular weight of 1243.75 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane
PubChem CID88757589
Molecular FormulaC15Cl30
Molecular Weight1243.75 g/mol
Exact Mass1229.07
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane
SMILESClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl
InChIInChI=1S/C15Cl30/c16-1(4(21,22)7(27,28)13(39,40)14(41,42)15(43,44)45)2(17,18)5(23,24)8(29,30)10(33,34)12(37,38)11(35,36)9(31,32)6(25,26)3(1,19)20
InChIKeyRELWHXJUEVLWFL-UHFFFAOYSA-N
XLogP17.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.75
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane (CID 88757589) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane is ClC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C1(Cl)Cl.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane?
The InChIKey is RELWHXJUEVLWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15Cl30/c16-1(4(21,22)7(27,28)13(39,40)14(41,42)15(43,44)45)2(17,18)5(23,24)8(29,30)10(33,34)12(37,38)11(35,36)9(31,32)6(25,26)3(1,19)20.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane has a molecular weight of 1243.75 g/mol, XLogP of 17.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecachloro-10-(1,1,2,2,3,3,4,4,5,5,5-undecachloropentyl)cyclodecane is sourced from PubChem (CID 88757589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).