4,7-dichloro-5,5-dimethyldecane

C12H24Cl2 — CID 139878502

IUPAC4,7-dichloro-5,5-dimethyldecane
SMILESCCCC(Cl)CC(C)(C)C(Cl)CCC
InChIInChI=1S/C12H24Cl2/c1-5-7-10(13)9-12(3,4)11(14)8-6-2/h10-11H,5-9H2,1-4H3
InChIKeyXWFFABUIGAVRIM-UHFFFAOYSA-N
MW239.23 g/mol
LogP5.22
Rot. Bonds7

About 4,7-dichloro-5,5-dimethyldecane

4,7-dichloro-5,5-dimethyldecane (PubChem CID 139878502) has the molecular formula C12H24Cl2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4,7-dichloro-5,5-dimethyldecane.

Molecular Properties

Compound Name4,7-dichloro-5,5-dimethyldecane
PubChem CID139878502
Molecular FormulaC12H24Cl2
Molecular Weight239.23 g/mol
Exact Mass238.13
IUPAC Name4,7-dichloro-5,5-dimethyldecane
SMILESCCCC(Cl)CC(C)(C)C(Cl)CCC
InChIInChI=1S/C12H24Cl2/c1-5-7-10(13)9-12(3,4)11(14)8-6-2/h10-11H,5-9H2,1-4H3
InChIKeyXWFFABUIGAVRIM-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.23
LogP ≤ 55.22
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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2,5-dichlorooctane
CID 56987607
1,2,5-trichlorooctane
CID 20749063
3-chloro-2,2,6-trimethylnonane
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2-chloro-2-methylhexan-3-ol
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4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920
1,3-dichloro-1-(1,3-dichlorohexoxy)hexane
CID 56996879
2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
3-chloro-2,2-dimethylhexadecane
CID 63461295

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-5,5-dimethyldecane?
The IUPAC name of 4,7-dichloro-5,5-dimethyldecane (CID 139878502) is 4,7-dichloro-5,5-dimethyldecane.
What is the SMILES notation for 4,7-dichloro-5,5-dimethyldecane?
The canonical SMILES for 4,7-dichloro-5,5-dimethyldecane is CCCC(Cl)CC(C)(C)C(Cl)CCC.
What is the InChIKey of 4,7-dichloro-5,5-dimethyldecane?
The InChIKey is XWFFABUIGAVRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2/c1-5-7-10(13)9-12(3,4)11(14)8-6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 4,7-dichloro-5,5-dimethyldecane?
4,7-dichloro-5,5-dimethyldecane has a molecular weight of 239.23 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-5,5-dimethyldecane is sourced from PubChem (CID 139878502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).