1-iodo-5-methylidenenonane

C10H19I — CID 86167083

IUPAC1-iodo-5-methylidenenonane
SMILESC=C(CCCC)CCCCI
InChIInChI=1S/C10H19I/c1-3-4-7-10(2)8-5-6-9-11/h2-9H2,1H3
InChIKeyIMYQSWLMTHCJGJ-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.34
Rot. Bonds7

About 1-iodo-5-methylidenenonane

1-iodo-5-methylidenenonane (PubChem CID 86167083) has the molecular formula C10H19I and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-iodo-5-methylidenenonane.

Molecular Properties

Compound Name1-iodo-5-methylidenenonane
PubChem CID86167083
Molecular FormulaC10H19I
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name1-iodo-5-methylidenenonane
SMILESC=C(CCCC)CCCCI
InChIInChI=1S/C10H19I/c1-3-4-7-10(2)8-5-6-9-11/h2-9H2,1H3
InChIKeyIMYQSWLMTHCJGJ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-iodo-5-methylidenenonane?
The IUPAC name of 1-iodo-5-methylidenenonane (CID 86167083) is 1-iodo-5-methylidenenonane.
What is the SMILES notation for 1-iodo-5-methylidenenonane?
The canonical SMILES for 1-iodo-5-methylidenenonane is C=C(CCCC)CCCCI.
What is the InChIKey of 1-iodo-5-methylidenenonane?
The InChIKey is IMYQSWLMTHCJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19I/c1-3-4-7-10(2)8-5-6-9-11/h2-9H2,1H3.
What are the key properties of 1-iodo-5-methylidenenonane?
1-iodo-5-methylidenenonane has a molecular weight of 266.17 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-5-methylidenenonane is sourced from PubChem (CID 86167083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).