2-chlorododecane

C12H25Cl — CID 16875

IUPAC2-chlorododecane
SMILESCCCCCCCCCCC(C)Cl
InChIInChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
InChIKeyIRQJPTVOWBXCHM-UHFFFAOYSA-N
MW204.78 g/mol
LogP5.14
Rot. Bonds9

About 2-chlorododecane

2-chlorododecane (PubChem CID 16875) has the molecular formula C12H25Cl and a molecular weight of 204.78 g/mol. Its IUPAC name is 2-chlorododecane.

Molecular Properties

Compound Name2-chlorododecane
PubChem CID16875
Molecular FormulaC12H25Cl
Molecular Weight204.78 g/mol
Exact Mass204.16
IUPAC Name2-chlorododecane
SMILESCCCCCCCCCCC(C)Cl
InChIInChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
InChIKeyIRQJPTVOWBXCHM-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.78
LogP ≤ 55.14
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'}

Analyze 2-chlorododecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chlorododecane?
The IUPAC name of 2-chlorododecane (CID 16875) is 2-chlorododecane.
What is the SMILES notation for 2-chlorododecane?
The canonical SMILES for 2-chlorododecane is CCCCCCCCCCC(C)Cl.
What is the InChIKey of 2-chlorododecane?
The InChIKey is IRQJPTVOWBXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3.
What are the key properties of 2-chlorododecane?
2-chlorododecane has a molecular weight of 204.78 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorododecane is sourced from PubChem (CID 16875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).