(2E)-1-iodo-3,7-dimethylocta-2,6-diene

C10H17I — CID 11086623

IUPAC(2E)-1-iodo-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CI
InChIInChI=1S/C10H17I/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyUIDURKICBDKTRR-JXMROGBWSA-N
MW264.15 g/mol
LogP4.11
Rot. Bonds4

About (2E)-1-iodo-3,7-dimethylocta-2,6-diene

(2E)-1-iodo-3,7-dimethylocta-2,6-diene (PubChem CID 11086623) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is (2E)-1-iodo-3,7-dimethylocta-2,6-diene.

Molecular Properties

Compound Name(2E)-1-iodo-3,7-dimethylocta-2,6-diene
PubChem CID11086623
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name(2E)-1-iodo-3,7-dimethylocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CI
InChIInChI=1S/C10H17I/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKeyUIDURKICBDKTRR-JXMROGBWSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of (2E)-1-iodo-3,7-dimethylocta-2,6-diene?
The IUPAC name of (2E)-1-iodo-3,7-dimethylocta-2,6-diene (CID 11086623) is (2E)-1-iodo-3,7-dimethylocta-2,6-diene.
What is the SMILES notation for (2E)-1-iodo-3,7-dimethylocta-2,6-diene?
The canonical SMILES for (2E)-1-iodo-3,7-dimethylocta-2,6-diene is CC(C)=CCC/C(C)=C/CI.
What is the InChIKey of (2E)-1-iodo-3,7-dimethylocta-2,6-diene?
The InChIKey is UIDURKICBDKTRR-JXMROGBWSA-N. The full InChI is InChI=1S/C10H17I/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+.
What are the key properties of (2E)-1-iodo-3,7-dimethylocta-2,6-diene?
(2E)-1-iodo-3,7-dimethylocta-2,6-diene has a molecular weight of 264.15 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-iodo-3,7-dimethylocta-2,6-diene is sourced from PubChem (CID 11086623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).