6-iodohex-1-ene

C6H11I — CID 10878409

IUPAC6-iodohex-1-ene
SMILESC=CCCCCI
InChIInChI=1S/C6H11I/c1-2-3-4-5-6-7/h2H,1,3-6H2
InChIKeyQTCKFQMYOMTINU-UHFFFAOYSA-N
MW210.06 g/mol
LogP2.78
Rot. Bonds4

About 6-iodohex-1-ene

6-iodohex-1-ene (PubChem CID 10878409) has the molecular formula C6H11I and a molecular weight of 210.06 g/mol. Its IUPAC name is 6-iodohex-1-ene.

Molecular Properties

Compound Name6-iodohex-1-ene
PubChem CID10878409
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Name6-iodohex-1-ene
SMILESC=CCCCCI
InChIInChI=1S/C6H11I/c1-2-3-4-5-6-7/h2H,1,3-6H2
InChIKeyQTCKFQMYOMTINU-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.78
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'}

Analyze 6-iodohex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-iodohex-1-ene?
The IUPAC name of 6-iodohex-1-ene (CID 10878409) is 6-iodohex-1-ene.
What is the SMILES notation for 6-iodohex-1-ene?
The canonical SMILES for 6-iodohex-1-ene is C=CCCCCI.
What is the InChIKey of 6-iodohex-1-ene?
The InChIKey is QTCKFQMYOMTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11I/c1-2-3-4-5-6-7/h2H,1,3-6H2.
What are the key properties of 6-iodohex-1-ene?
6-iodohex-1-ene has a molecular weight of 210.06 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodohex-1-ene is sourced from PubChem (CID 10878409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).