2,6-dichloro-2,6-dimethyldecane

C12H24Cl2 — CID 139809322

IUPAC2,6-dichloro-2,6-dimethyldecane
SMILESCCCCC(C)(Cl)CCCC(C)(C)Cl
InChIInChI=1S/C12H24Cl2/c1-5-6-9-12(4,14)10-7-8-11(2,3)13/h5-10H2,1-4H3
InChIKeyNQULDWYOGZZUDI-UHFFFAOYSA-N
MW239.23 g/mol
LogP5.36
Rot. Bonds7

About 2,6-dichloro-2,6-dimethyldecane

2,6-dichloro-2,6-dimethyldecane (PubChem CID 139809322) has the molecular formula C12H24Cl2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2,6-dichloro-2,6-dimethyldecane.

Molecular Properties

Compound Name2,6-dichloro-2,6-dimethyldecane
PubChem CID139809322
Molecular FormulaC12H24Cl2
Molecular Weight239.23 g/mol
Exact Mass238.13
IUPAC Name2,6-dichloro-2,6-dimethyldecane
SMILESCCCCC(C)(Cl)CCCC(C)(C)Cl
InChIInChI=1S/C12H24Cl2/c1-5-6-9-12(4,14)10-7-8-11(2,3)13/h5-10H2,1-4H3
InChIKeyNQULDWYOGZZUDI-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
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

(4R)-4-chloro-4-methyloctane
CID 129374949
2-chloro-2-methylhexane;cyclobutane
CID 175373010
2-chloro-2-methylheptadecane
CID 19869804
azane;2-chloro-2-methyltridecane
CID 87093642
2-chloro-2-methylundecane;ethene
CID 158323150
3-chloro-3-methyloctadecane
CID 158282272
2,2,3,3-tetrachloroheptane
CID 54246303
2,6-dichloro-6-methyldodecane
CID 175075248
2,2-dimethylhexane
CID 169424592
(3-butyl-3-chloro-2-methylheptan-2-yl)silane
CID 123537188
5-chlorononan-5-amine
CID 88596915
1-chloropentane-1,1-diamine
CID 175198933

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-2,6-dimethyldecane?
The IUPAC name of 2,6-dichloro-2,6-dimethyldecane (CID 139809322) is 2,6-dichloro-2,6-dimethyldecane.
What is the SMILES notation for 2,6-dichloro-2,6-dimethyldecane?
The canonical SMILES for 2,6-dichloro-2,6-dimethyldecane is CCCCC(C)(Cl)CCCC(C)(C)Cl.
What is the InChIKey of 2,6-dichloro-2,6-dimethyldecane?
The InChIKey is NQULDWYOGZZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Cl2/c1-5-6-9-12(4,14)10-7-8-11(2,3)13/h5-10H2,1-4H3.
What are the key properties of 2,6-dichloro-2,6-dimethyldecane?
2,6-dichloro-2,6-dimethyldecane has a molecular weight of 239.23 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-2,6-dimethyldecane is sourced from PubChem (CID 139809322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).