6-iodohept-1-ene

C7H13I — CID 13296843

IUPAC6-iodohept-1-ene
SMILESC=CCCCC(C)I
InChIInChI=1S/C7H13I/c1-3-4-5-6-7(2)8/h3,7H,1,4-6H2,2H3
InChIKeyGHPZMTWZDNJIOA-UHFFFAOYSA-N
MW224.08 g/mol
LogP3.17
Rot. Bonds4

About 6-iodohept-1-ene

6-iodohept-1-ene (PubChem CID 13296843) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is 6-iodohept-1-ene.

Molecular Properties

Compound Name6-iodohept-1-ene
PubChem CID13296843
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name6-iodohept-1-ene
SMILESC=CCCCC(C)I
InChIInChI=1S/C7H13I/c1-3-4-5-6-7(2)8/h3,7H,1,4-6H2,2H3
InChIKeyGHPZMTWZDNJIOA-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.17
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-iodohept-1-ene?
The IUPAC name of 6-iodohept-1-ene (CID 13296843) is 6-iodohept-1-ene.
What is the SMILES notation for 6-iodohept-1-ene?
The canonical SMILES for 6-iodohept-1-ene is C=CCCCC(C)I.
What is the InChIKey of 6-iodohept-1-ene?
The InChIKey is GHPZMTWZDNJIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13I/c1-3-4-5-6-7(2)8/h3,7H,1,4-6H2,2H3.
What are the key properties of 6-iodohept-1-ene?
6-iodohept-1-ene has a molecular weight of 224.08 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodohept-1-ene is sourced from PubChem (CID 13296843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).