(E)-3-ethyl-1-iodohex-3-ene

C8H15I — CID 134902377

IUPAC(E)-3-ethyl-1-iodohex-3-ene
SMILESCC/C=C(\CC)CCI
InChIInChI=1S/C8H15I/c1-3-5-8(4-2)6-7-9/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyNJYDFUHFTFZMAD-VMPITWQZSA-N
MW238.11 g/mol
LogP3.56
Rot. Bonds4

About (E)-3-ethyl-1-iodohex-3-ene

(E)-3-ethyl-1-iodohex-3-ene (PubChem CID 134902377) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is (E)-3-ethyl-1-iodohex-3-ene.

Molecular Properties

Compound Name(E)-3-ethyl-1-iodohex-3-ene
PubChem CID134902377
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name(E)-3-ethyl-1-iodohex-3-ene
SMILESCC/C=C(\CC)CCI
InChIInChI=1S/C8H15I/c1-3-5-8(4-2)6-7-9/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyNJYDFUHFTFZMAD-VMPITWQZSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-3-hexene
CID 140138
2-Hexene, 6-iodo-2-methyl-
CID 549566
(6E)-9-iodo-2,6-dimethylnona-2,6-diene
CID 10731263
5-Iodo-2-methyl-2-pentene
CID 11063690
(1E,5E)-1-iodo-2,6,10-trimethylundeca-1,5,9-triene
CID 9973148
(E)-4-iodooct-4-ene
CID 10857505
2-Heptene, 6-iodo-2-methyl-
CID 11085819
(2E)-1-iodo-3,7-dimethylocta-2,6-diene
CID 11086623
(1E)-1-iodo-2,6-dimethyl-1,5-heptadiene
CID 11357128
(z)-8-Iodooct-3-ene
CID 12076595
(2E,6E)-1-Iodo-3,7,11-trimethyldodeca-2,6,10-triene
CID 12164044
Geranylgeranyl iodide
CID 12164045

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-1-iodohex-3-ene?
The IUPAC name of (E)-3-ethyl-1-iodohex-3-ene (CID 134902377) is (E)-3-ethyl-1-iodohex-3-ene.
What is the SMILES notation for (E)-3-ethyl-1-iodohex-3-ene?
The canonical SMILES for (E)-3-ethyl-1-iodohex-3-ene is CC/C=C(\CC)CCI.
What is the InChIKey of (E)-3-ethyl-1-iodohex-3-ene?
The InChIKey is NJYDFUHFTFZMAD-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15I/c1-3-5-8(4-2)6-7-9/h5H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of (E)-3-ethyl-1-iodohex-3-ene?
(E)-3-ethyl-1-iodohex-3-ene has a molecular weight of 238.11 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1-iodohex-3-ene is sourced from PubChem (CID 134902377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).