6-iodooct-1-ene

C8H15I — CID 86175599

IUPAC6-iodooct-1-ene
SMILESC=CCCCC(I)CC
InChIInChI=1S/C8H15I/c1-3-5-6-7-8(9)4-2/h3,8H,1,4-7H2,2H3
InChIKeyOWXDDZPFUMRLRD-UHFFFAOYSA-N
MW238.11 g/mol
LogP3.56
Rot. Bonds5

About 6-iodooct-1-ene

6-iodooct-1-ene (PubChem CID 86175599) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is 6-iodooct-1-ene.

Molecular Properties

Compound Name6-iodooct-1-ene
PubChem CID86175599
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name6-iodooct-1-ene
SMILESC=CCCCC(I)CC
InChIInChI=1S/C8H15I/c1-3-5-6-7-8(9)4-2/h3,8H,1,4-7H2,2H3
InChIKeyOWXDDZPFUMRLRD-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodooct-1-ene?
The IUPAC name of 6-iodooct-1-ene (CID 86175599) is 6-iodooct-1-ene.
What is the SMILES notation for 6-iodooct-1-ene?
The canonical SMILES for 6-iodooct-1-ene is C=CCCCC(I)CC.
What is the InChIKey of 6-iodooct-1-ene?
The InChIKey is OWXDDZPFUMRLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15I/c1-3-5-6-7-8(9)4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of 6-iodooct-1-ene?
6-iodooct-1-ene has a molecular weight of 238.11 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodooct-1-ene is sourced from PubChem (CID 86175599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).