3,5,7,9-tetrachloroundecane

C11H20Cl4 — CID 20749072

IUPAC3,5,7,9-tetrachloroundecane
SMILESCCC(Cl)CC(Cl)CC(Cl)CC(Cl)CC
InChIInChI=1S/C11H20Cl4/c1-3-8(12)5-10(14)7-11(15)6-9(13)4-2/h8-11H,3-7H2,1-2H3
InChIKeyXBRQCDSHJQKYKJ-UHFFFAOYSA-N
MW294.09 g/mol
LogP5.41
Rot. Bonds8

About 3,5,7,9-tetrachloroundecane

3,5,7,9-tetrachloroundecane (PubChem CID 20749072) has the molecular formula C11H20Cl4 and a molecular weight of 294.09 g/mol. Its IUPAC name is 3,5,7,9-tetrachloroundecane.

Molecular Properties

Compound Name3,5,7,9-tetrachloroundecane
PubChem CID20749072
Molecular FormulaC11H20Cl4
Molecular Weight294.09 g/mol
Exact Mass292.03
IUPAC Name3,5,7,9-tetrachloroundecane
SMILESCCC(Cl)CC(Cl)CC(Cl)CC(Cl)CC
InChIInChI=1S/C11H20Cl4/c1-3-8(12)5-10(14)7-11(15)6-9(13)4-2/h8-11H,3-7H2,1-2H3
InChIKeyXBRQCDSHJQKYKJ-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.09
LogP ≤ 55.41
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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(6R)-6-chloro-4-methyloctan-1-ol
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1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane
CID 20749064
(5S)-5-chloro-2-methylheptane
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1,1,1,3-tetrachloropentane
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2-butoxy-4-chlorohexane
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3-chloropentanenitrile
CID 23266229
2-chloro-N-ethylbutan-1-amine
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6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3,5,7,9-tetrachloroundecane?
The IUPAC name of 3,5,7,9-tetrachloroundecane (CID 20749072) is 3,5,7,9-tetrachloroundecane.
What is the SMILES notation for 3,5,7,9-tetrachloroundecane?
The canonical SMILES for 3,5,7,9-tetrachloroundecane is CCC(Cl)CC(Cl)CC(Cl)CC(Cl)CC.
What is the InChIKey of 3,5,7,9-tetrachloroundecane?
The InChIKey is XBRQCDSHJQKYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl4/c1-3-8(12)5-10(14)7-11(15)6-9(13)4-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 3,5,7,9-tetrachloroundecane?
3,5,7,9-tetrachloroundecane has a molecular weight of 294.09 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,9-tetrachloroundecane is sourced from PubChem (CID 20749072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).