1-chlorodecane

C10H21Cl — CID 13848

IUPAC1-chlorodecane
SMILESCCCCCCCCCCCl
InChIInChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKeyZTEHOZMYMCEYRM-UHFFFAOYSA-N
MW176.73 g/mol
LogP4.37
Rot. Bonds8

About 1-chlorodecane

1-chlorodecane (PubChem CID 13848) has the molecular formula C10H21Cl and a molecular weight of 176.73 g/mol. Its IUPAC name is 1-chlorodecane.

Molecular Properties

Compound Name1-chlorodecane
PubChem CID13848
Molecular FormulaC10H21Cl
Molecular Weight176.73 g/mol
Exact Mass176.13
IUPAC Name1-chlorodecane
SMILESCCCCCCCCCCCl
InChIInChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKeyZTEHOZMYMCEYRM-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.73
LogP ≤ 54.37
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 1-chlorodecane 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 1-chlorodecane?
The IUPAC name of 1-chlorodecane (CID 13848) is 1-chlorodecane.
What is the SMILES notation for 1-chlorodecane?
The canonical SMILES for 1-chlorodecane is CCCCCCCCCCCl.
What is the InChIKey of 1-chlorodecane?
The InChIKey is ZTEHOZMYMCEYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3.
What are the key properties of 1-chlorodecane?
1-chlorodecane has a molecular weight of 176.73 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorodecane is sourced from PubChem (CID 13848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).