1-iodooct-1-ene

C8H15I — CID 54309615

IUPAC1-iodooct-1-ene
SMILESCCCCCCC=CI
InChIInChI=1S/C8H15I/c1-2-3-4-5-6-7-8-9/h7-8H,2-6H2,1H3
InChIKeySJZDDNSUIVLYIN-UHFFFAOYSA-N
MW238.11 g/mol
LogP3.91
Rot. Bonds5

About 1-iodooct-1-ene

1-iodooct-1-ene (PubChem CID 54309615) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is 1-iodooct-1-ene.

Molecular Properties

Compound Name1-iodooct-1-ene
PubChem CID54309615
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name1-iodooct-1-ene
SMILESCCCCCCC=CI
InChIInChI=1S/C8H15I/c1-2-3-4-5-6-7-8-9/h7-8H,2-6H2,1H3
InChIKeySJZDDNSUIVLYIN-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodooct-1-ene?
The IUPAC name of 1-iodooct-1-ene (CID 54309615) is 1-iodooct-1-ene.
What is the SMILES notation for 1-iodooct-1-ene?
The canonical SMILES for 1-iodooct-1-ene is CCCCCCC=CI.
What is the InChIKey of 1-iodooct-1-ene?
The InChIKey is SJZDDNSUIVLYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15I/c1-2-3-4-5-6-7-8-9/h7-8H,2-6H2,1H3.
What are the key properties of 1-iodooct-1-ene?
1-iodooct-1-ene has a molecular weight of 238.11 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodooct-1-ene is sourced from PubChem (CID 54309615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).