7-iodospiro[3.5]nonane

C9H15I — CID 121454581

IUPAC7-iodospiro[3.5]nonane
SMILESIC1CCC2(CCC2)CC1
InChIInChI=1S/C9H15I/c10-8-2-6-9(7-3-8)4-1-5-9/h8H,1-7H2
InChIKeyJJXGDNUTPIGDSQ-UHFFFAOYSA-N
MW250.12 g/mol
LogP3.53
Rot. Bonds

About 7-iodospiro[3.5]nonane

7-iodospiro[3.5]nonane (PubChem CID 121454581) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is 7-iodospiro[3.5]nonane.

Molecular Properties

Compound Name7-iodospiro[3.5]nonane
PubChem CID121454581
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name7-iodospiro[3.5]nonane
SMILESIC1CCC2(CCC2)CC1
InChIInChI=1S/C9H15I/c10-8-2-6-9(7-3-8)4-1-5-9/h8H,1-7H2
InChIKeyJJXGDNUTPIGDSQ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.53
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 7-iodospiro[3.5]nonane?
The IUPAC name of 7-iodospiro[3.5]nonane (CID 121454581) is 7-iodospiro[3.5]nonane.
What is the SMILES notation for 7-iodospiro[3.5]nonane?
The canonical SMILES for 7-iodospiro[3.5]nonane is IC1CCC2(CCC2)CC1.
What is the InChIKey of 7-iodospiro[3.5]nonane?
The InChIKey is JJXGDNUTPIGDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15I/c10-8-2-6-9(7-3-8)4-1-5-9/h8H,1-7H2.
What are the key properties of 7-iodospiro[3.5]nonane?
7-iodospiro[3.5]nonane has a molecular weight of 250.12 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodospiro[3.5]nonane is sourced from PubChem (CID 121454581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).