(E)-6-iodohex-2-ene

C6H11I — CID 11074645

IUPAC(E)-6-iodohex-2-ene
SMILESC/C=C/CCCI
InChIInChI=1S/C6H11I/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyWWRXMKQRGARTAB-NSCUHMNNSA-N
MW210.06 g/mol
LogP2.78
Rot. Bonds3

About (E)-6-iodohex-2-ene

(E)-6-iodohex-2-ene (PubChem CID 11074645) has the molecular formula C6H11I and a molecular weight of 210.06 g/mol. Its IUPAC name is (E)-6-iodohex-2-ene.

Molecular Properties

Compound Name(E)-6-iodohex-2-ene
PubChem CID11074645
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Name(E)-6-iodohex-2-ene
SMILESC/C=C/CCCI
InChIInChI=1S/C6H11I/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+
InChIKeyWWRXMKQRGARTAB-NSCUHMNNSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-iodohex-2-ene?
The IUPAC name of (E)-6-iodohex-2-ene (CID 11074645) is (E)-6-iodohex-2-ene.
What is the SMILES notation for (E)-6-iodohex-2-ene?
The canonical SMILES for (E)-6-iodohex-2-ene is C/C=C/CCCI.
What is the InChIKey of (E)-6-iodohex-2-ene?
The InChIKey is WWRXMKQRGARTAB-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H11I/c1-2-3-4-5-6-7/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-6-iodohex-2-ene?
(E)-6-iodohex-2-ene has a molecular weight of 210.06 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-iodohex-2-ene is sourced from PubChem (CID 11074645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).