1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane

C11H19Cl5 — CID 20749064

IUPAC1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane
SMILESCCC(Cl)CC(Cl)C(CCCl)C(Cl)CCCl
InChIInChI=1S/C11H19Cl5/c1-2-8(14)7-11(16)9(3-5-12)10(15)4-6-13/h8-11H,2-7H2,1H3
InChIKeyWEVDSMSRZZNUQJ-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.48
Rot. Bonds9

About 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane

1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane (PubChem CID 20749064) has the molecular formula C11H19Cl5 and a molecular weight of 328.54 g/mol. Its IUPAC name is 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane.

Molecular Properties

Compound Name1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane
PubChem CID20749064
Molecular FormulaC11H19Cl5
Molecular Weight328.54 g/mol
Exact Mass325.99
IUPAC Name1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane
SMILESCCC(Cl)CC(Cl)C(CCCl)C(Cl)CCCl
InChIInChI=1S/C11H19Cl5/c1-2-8(14)7-11(16)9(3-5-12)10(15)4-6-13/h8-11H,2-7H2,1H3
InChIKeyWEVDSMSRZZNUQJ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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(5S)-5-chloro-2-methylheptane
CID 3085973
1,2,5-trichlorooctane
CID 20749063
(2R)-1-bromo-2-chlorobutane
CID 57480694
4-chloro-2-methylperoxyhexane
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CID 87123860
3-chlorohenicosane
CID 87067964
1-chloro-N,N-dimethylpentan-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane?
The IUPAC name of 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane (CID 20749064) is 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane.
What is the SMILES notation for 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane?
The canonical SMILES for 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane is CCC(Cl)CC(Cl)C(CCCl)C(Cl)CCCl.
What is the InChIKey of 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane?
The InChIKey is WEVDSMSRZZNUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl5/c1-2-8(14)7-11(16)9(3-5-12)10(15)4-6-13/h8-11H,2-7H2,1H3.
What are the key properties of 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane?
1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane has a molecular weight of 328.54 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane is sourced from PubChem (CID 20749064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).