1,3-dichloro-5-iodoundecane

C11H21Cl2I — CID 122583671

IUPAC1,3-dichloro-5-iodoundecane
SMILESCCCCCCC(I)CC(Cl)CCCl
InChIInChI=1S/C11H21Cl2I/c1-2-3-4-5-6-11(14)9-10(13)7-8-12/h10-11H,2-9H2,1H3
InChIKeyWTPHBZAYNYCUBN-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.39
Rot. Bonds9

About 1,3-dichloro-5-iodoundecane

1,3-dichloro-5-iodoundecane (PubChem CID 122583671) has the molecular formula C11H21Cl2I and a molecular weight of 351.10 g/mol. Its IUPAC name is 1,3-dichloro-5-iodoundecane.

Molecular Properties

Compound Name1,3-dichloro-5-iodoundecane
PubChem CID122583671
Molecular FormulaC11H21Cl2I
Molecular Weight351.10 g/mol
Exact Mass350.01
IUPAC Name1,3-dichloro-5-iodoundecane
SMILESCCCCCCC(I)CC(Cl)CCCl
InChIInChI=1S/C11H21Cl2I/c1-2-3-4-5-6-11(14)9-10(13)7-8-12/h10-11H,2-9H2,1H3
InChIKeyWTPHBZAYNYCUBN-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5-iodopentadecane
CID 122583752
azane;1,3-dichloropentadecane
CID 87123860
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
3-iodotetradecane
CID 122583608
17-chlorotritriacontane
CID 87852962
(2S)-1,2-dichlorododecane
CID 98052710
(3R)-1-chlorooctan-3-amine
CID 102206796
1,3-diiodononane
CID 168864693
3-chlorohenicosane
CID 87067964
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-iodoundecane?
The IUPAC name of 1,3-dichloro-5-iodoundecane (CID 122583671) is 1,3-dichloro-5-iodoundecane.
What is the SMILES notation for 1,3-dichloro-5-iodoundecane?
The canonical SMILES for 1,3-dichloro-5-iodoundecane is CCCCCCC(I)CC(Cl)CCCl.
What is the InChIKey of 1,3-dichloro-5-iodoundecane?
The InChIKey is WTPHBZAYNYCUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl2I/c1-2-3-4-5-6-11(14)9-10(13)7-8-12/h10-11H,2-9H2,1H3.
What are the key properties of 1,3-dichloro-5-iodoundecane?
1,3-dichloro-5-iodoundecane has a molecular weight of 351.10 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-iodoundecane is sourced from PubChem (CID 122583671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).