(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene

C9H15I — CID 89246005

IUPAC(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene
SMILESCC/C(C)=C/C=C(/C)CI
InChIInChI=1S/C9H15I/c1-4-8(2)5-6-9(3)7-10/h5-6H,4,7H2,1-3H3/b8-5+,9-6-
InChIKeyGZKQCCFHLBEYES-OWNHSFIXSA-N
MW250.12 g/mol
LogP3.72
Rot. Bonds3

About (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene

(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene (PubChem CID 89246005) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene
PubChem CID89246005
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene
SMILESCC/C(C)=C/C=C(/C)CI
InChIInChI=1S/C9H15I/c1-4-8(2)5-6-9(3)7-10/h5-6H,4,7H2,1-3H3/b8-5+,9-6-
InChIKeyGZKQCCFHLBEYES-OWNHSFIXSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.72
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene?
The IUPAC name of (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene (CID 89246005) is (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene is CC/C(C)=C/C=C(/C)CI.
What is the InChIKey of (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene?
The InChIKey is GZKQCCFHLBEYES-OWNHSFIXSA-N. The full InChI is InChI=1S/C9H15I/c1-4-8(2)5-6-9(3)7-10/h5-6H,4,7H2,1-3H3/b8-5+,9-6-.
What are the key properties of (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene?
(2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene has a molecular weight of 250.12 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-iodo-2,5-dimethylhepta-2,4-diene is sourced from PubChem (CID 89246005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).