(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene

C8H14I2 — CID 10666442

IUPAC(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene
SMILESC/C(=C\I)C[C@H](C)CCI
InChIInChI=1S/C8H14I2/c1-7(3-4-9)5-8(2)6-10/h6-7H,3-5H2,1-2H3/b8-6+/t7-/m1/s1
InChIKeyOXCUBJCQVXKTLJ-UQBZRGDZSA-N
MW364.01 g/mol
LogP4.18
Rot. Bonds4

About (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene

(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene (PubChem CID 10666442) has the molecular formula C8H14I2 and a molecular weight of 364.01 g/mol. Its IUPAC name is (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene.

Molecular Properties

Compound Name(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene
PubChem CID10666442
Molecular FormulaC8H14I2
Molecular Weight364.01 g/mol
Exact Mass363.92
IUPAC Name(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene
SMILESC/C(=C\I)C[C@H](C)CCI
InChIInChI=1S/C8H14I2/c1-7(3-4-9)5-8(2)6-10/h6-7H,3-5H2,1-2H3/b8-6+/t7-/m1/s1
InChIKeyOXCUBJCQVXKTLJ-UQBZRGDZSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.01
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene?
The IUPAC name of (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene (CID 10666442) is (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene.
What is the SMILES notation for (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene?
The canonical SMILES for (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene is C/C(=C\I)C[C@H](C)CCI.
What is the InChIKey of (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene?
The InChIKey is OXCUBJCQVXKTLJ-UQBZRGDZSA-N. The full InChI is InChI=1S/C8H14I2/c1-7(3-4-9)5-8(2)6-10/h6-7H,3-5H2,1-2H3/b8-6+/t7-/m1/s1.
What are the key properties of (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene?
(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene has a molecular weight of 364.01 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene is sourced from PubChem (CID 10666442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).