1,1,1,2,2,3,3-heptachloroundecane

C11H17Cl7 — CID 170849896

IUPAC1,1,1,2,2,3,3-heptachloroundecane
SMILESCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C11H17Cl7/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)18/h2-8H2,1H3
InChIKeyAZPJTJPEXNPTKT-UHFFFAOYSA-N
MW397.43 g/mol
LogP7.45
Rot. Bonds8

About 1,1,1,2,2,3,3-heptachloroundecane

1,1,1,2,2,3,3-heptachloroundecane (PubChem CID 170849896) has the molecular formula C11H17Cl7 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptachloroundecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptachloroundecane
PubChem CID170849896
Molecular FormulaC11H17Cl7
Molecular Weight397.43 g/mol
Exact Mass393.91
IUPAC Name1,1,1,2,2,3,3-heptachloroundecane
SMILESCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C11H17Cl7/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)18/h2-8H2,1H3
InChIKeyAZPJTJPEXNPTKT-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 57.45
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

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CID 141280828
11-chloro-11-decylpentacosane
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7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
11-chloro-11-nonylhenicosane
CID 154304707
methyl 2,2,3,3,4,4-hexachlorooctadecanoate
CID 118195443
2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172
azane;12-chloro-12-undecyltetracosane
CID 88840214
1,1-dichlorononadecylsilane
CID 123671605
azane;2-chloro-2-methyltridecane
CID 87093642
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptachloroundecane?
The IUPAC name of 1,1,1,2,2,3,3-heptachloroundecane (CID 170849896) is 1,1,1,2,2,3,3-heptachloroundecane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptachloroundecane?
The canonical SMILES for 1,1,1,2,2,3,3-heptachloroundecane is CCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1,2,2,3,3-heptachloroundecane?
The InChIKey is AZPJTJPEXNPTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl7/c1-2-3-4-5-6-7-8-9(12,13)10(14,15)11(16,17)18/h2-8H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptachloroundecane?
1,1,1,2,2,3,3-heptachloroundecane has a molecular weight of 397.43 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptachloroundecane is sourced from PubChem (CID 170849896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).