2,6-dichloro-6-methyldodecane

C13H26Cl2 — CID 175075248

IUPAC2,6-dichloro-6-methyldodecane
SMILESCCCCCCC(C)(Cl)CCCC(C)Cl
InChIInChI=1S/C13H26Cl2/c1-4-5-6-7-10-13(3,15)11-8-9-12(2)14/h12H,4-11H2,1-3H3
InChIKeyYWEQRUQFOHUJSB-UHFFFAOYSA-N
MW253.26 g/mol
LogP5.75
Rot. Bonds9

About 2,6-dichloro-6-methyldodecane

2,6-dichloro-6-methyldodecane (PubChem CID 175075248) has the molecular formula C13H26Cl2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,6-dichloro-6-methyldodecane.

Molecular Properties

Compound Name2,6-dichloro-6-methyldodecane
PubChem CID175075248
Molecular FormulaC13H26Cl2
Molecular Weight253.26 g/mol
Exact Mass252.14
IUPAC Name2,6-dichloro-6-methyldodecane
SMILESCCCCCCC(C)(Cl)CCCC(C)Cl
InChIInChI=1S/C13H26Cl2/c1-4-5-6-7-10-13(3,15)11-8-9-12(2)14/h12H,4-11H2,1-3H3
InChIKeyYWEQRUQFOHUJSB-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.26
LogP ≤ 55.75
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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3-chloro-3-methylpentadecan-2-ol
CID 87770465
7-chloro-2,2-dimethyloctane
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2-chlorohenicosane-3,3-diol
CID 141136567
2-chloro-2-methyldecane-1,1-diol
CID 88640854
2-chloro-6-methylidenedodecane
CID 139337956
2-methyldodecan-2-ol
CID 547702
2-chloro-2-methylheptadecane
CID 19869804
(4R)-4-chloro-4-methyloctane
CID 129374949
1,1,2,2-tetrachlorooctane
CID 18402260

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-6-methyldodecane?
The IUPAC name of 2,6-dichloro-6-methyldodecane (CID 175075248) is 2,6-dichloro-6-methyldodecane.
What is the SMILES notation for 2,6-dichloro-6-methyldodecane?
The canonical SMILES for 2,6-dichloro-6-methyldodecane is CCCCCCC(C)(Cl)CCCC(C)Cl.
What is the InChIKey of 2,6-dichloro-6-methyldodecane?
The InChIKey is YWEQRUQFOHUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Cl2/c1-4-5-6-7-10-13(3,15)11-8-9-12(2)14/h12H,4-11H2,1-3H3.
What are the key properties of 2,6-dichloro-6-methyldodecane?
2,6-dichloro-6-methyldodecane has a molecular weight of 253.26 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-6-methyldodecane is sourced from PubChem (CID 175075248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).