5,5-dichlorododecane

C12H24Cl2 — CID 90767172

IUPAC5,5-dichlorododecane
SMILESCCCCCCCC(Cl)(Cl)CCCC
InChIInChI=1S/C12H24Cl2/c1-3-5-7-8-9-11-12(13,14)10-6-4-2/h3-11H2,1-2H3
InChIKeyMBVJIBKUZCQVPJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP5.71
Rot. Bonds9

About 5,5-dichlorododecane

5,5-dichlorododecane (PubChem CID 90767172) has the molecular formula C12H24Cl2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5,5-dichlorododecane.

Molecular Properties

Compound Name5,5-dichlorododecane
PubChem CID90767172
Molecular FormulaC12H24Cl2
Molecular Weight239.23 g/mol
Exact Mass238.13
IUPAC Name5,5-dichlorododecane
SMILESCCCCCCCC(Cl)(Cl)CCCC
InChIInChI=1S/C12H24Cl2/c1-3-5-7-8-9-11-12(13,14)10-6-4-2/h3-11H2,1-2H3
InChIKeyMBVJIBKUZCQVPJ-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.23
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 141000501
1,1,1-trichlorononane
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11-chloro-11-nonylhenicosane
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4,4-dichlorooctan-1-ol
CID 163217193
azane;12-chloro-12-undecyltetracosane
CID 88840214
2-chloro-2-methylheptadecane
CID 19869804
azane;5-butyl-5-chlorodecane
CID 88839636
10,10-dibutylicosane
CID 151498539
azane;2-chloro-2-methyltridecane
CID 87093642
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CID 123671605

Frequently Asked Questions

What is the IUPAC name of 5,5-dichlorododecane?
The IUPAC name of 5,5-dichlorododecane (CID 90767172) is 5,5-dichlorododecane.
What is the SMILES notation for 5,5-dichlorododecane?
The canonical SMILES for 5,5-dichlorododecane is CCCCCCCC(Cl)(Cl)CCCC.
What is the InChIKey of 5,5-dichlorododecane?
The InChIKey is MBVJIBKUZCQVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2/c1-3-5-7-8-9-11-12(13,14)10-6-4-2/h3-11H2,1-2H3.
What are the key properties of 5,5-dichlorododecane?
5,5-dichlorododecane has a molecular weight of 239.23 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichlorododecane is sourced from PubChem (CID 90767172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).