1,2,3,4,5,6,7-heptaiodoheptane

C7H9I7 — CID 89317363

IUPAC1,2,3,4,5,6,7-heptaiodoheptane
SMILESICC(I)C(I)C(I)C(I)C(I)CI
InChIInChI=1S/C7H9I7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-7H,1-2H2
InChIKeyIHRQPKNVOMHWGA-UHFFFAOYSA-N
MW981.48 g/mol
LogP5.87
Rot. Bonds6

About 1,2,3,4,5,6,7-heptaiodoheptane

1,2,3,4,5,6,7-heptaiodoheptane (PubChem CID 89317363) has the molecular formula C7H9I7 and a molecular weight of 981.48 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptaiodoheptane.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptaiodoheptane
PubChem CID89317363
Molecular FormulaC7H9I7
Molecular Weight981.48 g/mol
Exact Mass981.40
IUPAC Name1,2,3,4,5,6,7-heptaiodoheptane
SMILESICC(I)C(I)C(I)C(I)C(I)CI
InChIInChI=1S/C7H9I7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-7H,1-2H2
InChIKeyIHRQPKNVOMHWGA-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptaiodoheptane?
The IUPAC name of 1,2,3,4,5,6,7-heptaiodoheptane (CID 89317363) is 1,2,3,4,5,6,7-heptaiodoheptane.
What is the SMILES notation for 1,2,3,4,5,6,7-heptaiodoheptane?
The canonical SMILES for 1,2,3,4,5,6,7-heptaiodoheptane is ICC(I)C(I)C(I)C(I)C(I)CI.
What is the InChIKey of 1,2,3,4,5,6,7-heptaiodoheptane?
The InChIKey is IHRQPKNVOMHWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9I7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-7H,1-2H2.
What are the key properties of 1,2,3,4,5,6,7-heptaiodoheptane?
1,2,3,4,5,6,7-heptaiodoheptane has a molecular weight of 981.48 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptaiodoheptane is sourced from PubChem (CID 89317363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).