2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane

C12H16Cl4 — CID 13412659

IUPAC2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
SMILESClC1(Cl)CC12CCCCCCC21CC1(Cl)Cl
InChIInChI=1S/C12H16Cl4/c13-11(14)7-9(11)5-3-1-2-4-6-10(9)8-12(10,15)16/h1-8H2
InChIKeyKTWPBKOGZHKLQD-UHFFFAOYSA-N
MW302.07 g/mol
LogP5.47
Rot. Bonds

About 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane

2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane (PubChem CID 13412659) has the molecular formula C12H16Cl4 and a molecular weight of 302.07 g/mol. Its IUPAC name is 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane.

Molecular Properties

Compound Name2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
PubChem CID13412659
Molecular FormulaC12H16Cl4
Molecular Weight302.07 g/mol
Exact Mass300.00
IUPAC Name2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
SMILESClC1(Cl)CC12CCCCCCC21CC1(Cl)Cl
InChIInChI=1S/C12H16Cl4/c13-11(14)7-9(11)5-3-1-2-4-6-10(9)8-12(10,15)16/h1-8H2
InChIKeyKTWPBKOGZHKLQD-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.07
LogP ≤ 55.47
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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CID 13066177
1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
CID 71370874
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
2-bromo-2-chlorodispiro[2.0.54.13]decane
CID 102045039
1-chloro-1-methylcyclotridecane
CID 71082065
1-methyl-1-[1-(1-methylcyclohexyl)cyclopentyl]cyclohexane
CID 91349498
1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane
CID 163964283
1,1-dichlorocyclopentane;dihydrochloride
CID 146484844
1,1,2,2,3,3-hexachlorocyclohexane
CID 22272158
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
1-chloro-1-nitrosocyclopentadecane
CID 71360750
1-chloro-1-nitrosocyclododecane
CID 12551889

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane?
The IUPAC name of 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane (CID 13412659) is 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane.
What is the SMILES notation for 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane?
The canonical SMILES for 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane is ClC1(Cl)CC12CCCCCCC21CC1(Cl)Cl.
What is the InChIKey of 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane?
The InChIKey is KTWPBKOGZHKLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl4/c13-11(14)7-9(11)5-3-1-2-4-6-10(9)8-12(10,15)16/h1-8H2.
What are the key properties of 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane?
2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane has a molecular weight of 302.07 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane is sourced from PubChem (CID 13412659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).