1-chloro-5-iodopentadecane

C15H30ClI — CID 122583752

IUPAC1-chloro-5-iodopentadecane
SMILESCCCCCCCCCCC(I)CCCCCl
InChIInChI=1S/C15H30ClI/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16/h15H,2-14H2,1H3
InChIKeyHEPKGGYQWNIGIH-UHFFFAOYSA-N
MW372.76 g/mol
LogP6.73
Rot. Bonds13

About 1-chloro-5-iodopentadecane

1-chloro-5-iodopentadecane (PubChem CID 122583752) has the molecular formula C15H30ClI and a molecular weight of 372.76 g/mol. Its IUPAC name is 1-chloro-5-iodopentadecane.

Molecular Properties

Compound Name1-chloro-5-iodopentadecane
PubChem CID122583752
Molecular FormulaC15H30ClI
Molecular Weight372.76 g/mol
Exact Mass372.11
IUPAC Name1-chloro-5-iodopentadecane
SMILESCCCCCCCCCCC(I)CCCCCl
InChIInChI=1S/C15H30ClI/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16/h15H,2-14H2,1H3
InChIKeyHEPKGGYQWNIGIH-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 56.73
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

6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
CID 87162953
CID 87162953
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
1,3-diiodononane
CID 168864693
3-iodotetradecane
CID 122583608
1,3-dichloro-5-iodoundecane
CID 122583671
1-chloro-5-ethylundecane
CID 122651411

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-iodopentadecane?
The IUPAC name of 1-chloro-5-iodopentadecane (CID 122583752) is 1-chloro-5-iodopentadecane.
What is the SMILES notation for 1-chloro-5-iodopentadecane?
The canonical SMILES for 1-chloro-5-iodopentadecane is CCCCCCCCCCC(I)CCCCCl.
What is the InChIKey of 1-chloro-5-iodopentadecane?
The InChIKey is HEPKGGYQWNIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClI/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16/h15H,2-14H2,1H3.
What are the key properties of 1-chloro-5-iodopentadecane?
1-chloro-5-iodopentadecane has a molecular weight of 372.76 g/mol, XLogP of 6.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-iodopentadecane is sourced from PubChem (CID 122583752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).