(3Z,5E)-5-iodo-3-methylocta-3,5-diene

C9H15I — CID 89176925

IUPAC(3Z,5E)-5-iodo-3-methylocta-3,5-diene
SMILESCC/C=C(I)\C=C(\C)CC
InChIInChI=1S/C9H15I/c1-4-6-9(10)7-8(3)5-2/h6-7H,4-5H2,1-3H3/b8-7-,9-6+
InChIKeyGXFUYYUXSRDGMT-SOKJVCRVSA-N
MW250.12 g/mol
LogP4.07
Rot. Bonds3

About (3Z,5E)-5-iodo-3-methylocta-3,5-diene

(3Z,5E)-5-iodo-3-methylocta-3,5-diene (PubChem CID 89176925) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is (3Z,5E)-5-iodo-3-methylocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-5-iodo-3-methylocta-3,5-diene
PubChem CID89176925
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name(3Z,5E)-5-iodo-3-methylocta-3,5-diene
SMILESCC/C=C(I)\C=C(\C)CC
InChIInChI=1S/C9H15I/c1-4-6-9(10)7-8(3)5-2/h6-7H,4-5H2,1-3H3/b8-7-,9-6+
InChIKeyGXFUYYUXSRDGMT-SOKJVCRVSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5E)-5-iodo-3-methylocta-3,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-iodo-3-methylocta-3,5-diene?
The IUPAC name of (3Z,5E)-5-iodo-3-methylocta-3,5-diene (CID 89176925) is (3Z,5E)-5-iodo-3-methylocta-3,5-diene.
What is the SMILES notation for (3Z,5E)-5-iodo-3-methylocta-3,5-diene?
The canonical SMILES for (3Z,5E)-5-iodo-3-methylocta-3,5-diene is CC/C=C(I)\C=C(\C)CC.
What is the InChIKey of (3Z,5E)-5-iodo-3-methylocta-3,5-diene?
The InChIKey is GXFUYYUXSRDGMT-SOKJVCRVSA-N. The full InChI is InChI=1S/C9H15I/c1-4-6-9(10)7-8(3)5-2/h6-7H,4-5H2,1-3H3/b8-7-,9-6+.
What are the key properties of (3Z,5E)-5-iodo-3-methylocta-3,5-diene?
(3Z,5E)-5-iodo-3-methylocta-3,5-diene has a molecular weight of 250.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-iodo-3-methylocta-3,5-diene is sourced from PubChem (CID 89176925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).