1-chloro-5-ethylundecane

C13H27Cl — CID 122651411

IUPAC1-chloro-5-ethylundecane
SMILESCCCCCCC(CC)CCCCCl
InChIInChI=1S/C13H27Cl/c1-3-5-6-7-10-13(4-2)11-8-9-12-14/h13H,3-12H2,1-2H3
InChIKeyJNWDOIUMDOMGLH-UHFFFAOYSA-N
MW218.81 g/mol
LogP5.39
Rot. Bonds10

About 1-chloro-5-ethylundecane

1-chloro-5-ethylundecane (PubChem CID 122651411) has the molecular formula C13H27Cl and a molecular weight of 218.81 g/mol. Its IUPAC name is 1-chloro-5-ethylundecane.

Molecular Properties

Compound Name1-chloro-5-ethylundecane
PubChem CID122651411
Molecular FormulaC13H27Cl
Molecular Weight218.81 g/mol
Exact Mass218.18
IUPAC Name1-chloro-5-ethylundecane
SMILESCCCCCCC(CC)CCCCCl
InChIInChI=1S/C13H27Cl/c1-3-5-6-7-10-13(4-2)11-8-9-12-14/h13H,3-12H2,1-2H3
InChIKeyJNWDOIUMDOMGLH-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.81
LogP ≤ 55.39
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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
3-(chloromethyl)heptane;1-chlorononane
CID 175411183
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylicosane
CID 528487
3-ethylpentacosane
CID 22224239
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethylundecane?
The IUPAC name of 1-chloro-5-ethylundecane (CID 122651411) is 1-chloro-5-ethylundecane.
What is the SMILES notation for 1-chloro-5-ethylundecane?
The canonical SMILES for 1-chloro-5-ethylundecane is CCCCCCC(CC)CCCCCl.
What is the InChIKey of 1-chloro-5-ethylundecane?
The InChIKey is JNWDOIUMDOMGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Cl/c1-3-5-6-7-10-13(4-2)11-8-9-12-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-chloro-5-ethylundecane?
1-chloro-5-ethylundecane has a molecular weight of 218.81 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethylundecane is sourced from PubChem (CID 122651411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).