1-chloroundecane

C11H23Cl — CID 17186

IUPAC1-chloroundecane
SMILESCCCCCCCCCCCCl
InChIInChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKeyZHKKNUKCXPWZOP-UHFFFAOYSA-N
MW190.76 g/mol
LogP4.76
Rot. Bonds9

About 1-chloroundecane

1-chloroundecane (PubChem CID 17186) has the molecular formula C11H23Cl and a molecular weight of 190.76 g/mol. Its IUPAC name is 1-chloroundecane.

Molecular Properties

Compound Name1-chloroundecane
PubChem CID17186
Molecular FormulaC11H23Cl
Molecular Weight190.76 g/mol
Exact Mass190.15
IUPAC Name1-chloroundecane
SMILESCCCCCCCCCCCCl
InChIInChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKeyZHKKNUKCXPWZOP-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.76
LogP ≤ 54.76
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-chloroundecane?
The IUPAC name of 1-chloroundecane (CID 17186) is 1-chloroundecane.
What is the SMILES notation for 1-chloroundecane?
The canonical SMILES for 1-chloroundecane is CCCCCCCCCCCCl.
What is the InChIKey of 1-chloroundecane?
The InChIKey is ZHKKNUKCXPWZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3.
What are the key properties of 1-chloroundecane?
1-chloroundecane has a molecular weight of 190.76 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroundecane is sourced from PubChem (CID 17186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).