1-chlorododecane

C12H25Cl — CID 8192

IUPAC1-chlorododecane
SMILESCCCCCCCCCCCCCl
InChIInChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKeyYAYNEUUHHLGGAH-UHFFFAOYSA-N
MW204.78 g/mol
LogP5.15
Rot. Bonds10

About 1-chlorododecane

1-chlorododecane (PubChem CID 8192) has the molecular formula C12H25Cl and a molecular weight of 204.78 g/mol. Its IUPAC name is 1-chlorododecane.

Molecular Properties

Compound Name1-chlorododecane
PubChem CID8192
Molecular FormulaC12H25Cl
Molecular Weight204.78 g/mol
Exact Mass204.16
IUPAC Name1-chlorododecane
SMILESCCCCCCCCCCCCCl
InChIInChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKeyYAYNEUUHHLGGAH-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.78
LogP ≤ 55.15
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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Frequently Asked Questions

What is the IUPAC name of 1-chlorododecane?
The IUPAC name of 1-chlorododecane (CID 8192) is 1-chlorododecane.
What is the SMILES notation for 1-chlorododecane?
The canonical SMILES for 1-chlorododecane is CCCCCCCCCCCCCl.
What is the InChIKey of 1-chlorododecane?
The InChIKey is YAYNEUUHHLGGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3.
What are the key properties of 1-chlorododecane?
1-chlorododecane has a molecular weight of 204.78 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorododecane is sourced from PubChem (CID 8192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).