4-iodo-5-(2-iodoethyl)oct-4-ene

C10H18I2 — CID 73118559

IUPAC4-iodo-5-(2-iodoethyl)oct-4-ene
SMILESCCCC(I)=C(CCC)CCI
InChIInChI=1S/C10H18I2/c1-3-5-9(7-8-11)10(12)6-4-2/h3-8H2,1-2H3
InChIKeyPDXYMYMUKDEROX-UHFFFAOYSA-N
MW392.06 g/mol
LogP5.10
Rot. Bonds6

About 4-iodo-5-(2-iodoethyl)oct-4-ene

4-iodo-5-(2-iodoethyl)oct-4-ene (PubChem CID 73118559) has the molecular formula C10H18I2 and a molecular weight of 392.06 g/mol. Its IUPAC name is 4-iodo-5-(2-iodoethyl)oct-4-ene.

Molecular Properties

Compound Name4-iodo-5-(2-iodoethyl)oct-4-ene
PubChem CID73118559
Molecular FormulaC10H18I2
Molecular Weight392.06 g/mol
Exact Mass391.95
IUPAC Name4-iodo-5-(2-iodoethyl)oct-4-ene
SMILESCCCC(I)=C(CCC)CCI
InChIInChI=1S/C10H18I2/c1-3-5-9(7-8-11)10(12)6-4-2/h3-8H2,1-2H3
InChIKeyPDXYMYMUKDEROX-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.06
LogP ≤ 55.10
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'}

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Related Compounds

2-Heptene, 2,3-dimethyl-
CID 137816
2,3,6,7-Tetramethylocta-2,6-diene
CID 13378707
(1,2-Diiodo-3-methylbut-2-enylidene)cyclohexane
CID 13234787
1-Iodo-2-methylcyclopentene
CID 13999300
4,5-Diethyl-3,6-diiodoocta-3,5-diene
CID 71339615
5,6-Dimethyldec-5-ene
CID 76666837
3-Ethyl-4-iodohex-3-ene
CID 86173719
4-Ethyl-5-methyl-4-nonene
CID 123787194
3-Ethyl-2-methylhex-2-ene
CID 123944315
2,3-Diethyl-3-heptene
CID 142782
4-fluoro-3-[(1S)-1-iodoethyl]-2-methylhex-2-ene
CID 173972480
5,6-Dimethyl-5-decene
CID 58098463

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(2-iodoethyl)oct-4-ene?
The IUPAC name of 4-iodo-5-(2-iodoethyl)oct-4-ene (CID 73118559) is 4-iodo-5-(2-iodoethyl)oct-4-ene.
What is the SMILES notation for 4-iodo-5-(2-iodoethyl)oct-4-ene?
The canonical SMILES for 4-iodo-5-(2-iodoethyl)oct-4-ene is CCCC(I)=C(CCC)CCI.
What is the InChIKey of 4-iodo-5-(2-iodoethyl)oct-4-ene?
The InChIKey is PDXYMYMUKDEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18I2/c1-3-5-9(7-8-11)10(12)6-4-2/h3-8H2,1-2H3.
What are the key properties of 4-iodo-5-(2-iodoethyl)oct-4-ene?
4-iodo-5-(2-iodoethyl)oct-4-ene has a molecular weight of 392.06 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(2-iodoethyl)oct-4-ene is sourced from PubChem (CID 73118559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).