3-iodo-8-methylspiro[4.4]nonane

C10H17I — CID 154690645

IUPAC3-iodo-8-methylspiro[4.4]nonane
SMILESCC1CCC2(CCC(I)C2)C1
InChIInChI=1S/C10H17I/c1-8-2-4-10(6-8)5-3-9(11)7-10/h8-9H,2-7H2,1H3
InChIKeyAXSWKKLBSPJWGN-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.78
Rot. Bonds

About 3-iodo-8-methylspiro[4.4]nonane

3-iodo-8-methylspiro[4.4]nonane (PubChem CID 154690645) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 3-iodo-8-methylspiro[4.4]nonane.

Molecular Properties

Compound Name3-iodo-8-methylspiro[4.4]nonane
PubChem CID154690645
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name3-iodo-8-methylspiro[4.4]nonane
SMILESCC1CCC2(CCC(I)C2)C1
InChIInChI=1S/C10H17I/c1-8-2-4-10(6-8)5-3-9(11)7-10/h8-9H,2-7H2,1H3
InChIKeyAXSWKKLBSPJWGN-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.78
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 3-iodo-8-methylspiro[4.4]nonane?
The IUPAC name of 3-iodo-8-methylspiro[4.4]nonane (CID 154690645) is 3-iodo-8-methylspiro[4.4]nonane.
What is the SMILES notation for 3-iodo-8-methylspiro[4.4]nonane?
The canonical SMILES for 3-iodo-8-methylspiro[4.4]nonane is CC1CCC2(CCC(I)C2)C1.
What is the InChIKey of 3-iodo-8-methylspiro[4.4]nonane?
The InChIKey is AXSWKKLBSPJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c1-8-2-4-10(6-8)5-3-9(11)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-iodo-8-methylspiro[4.4]nonane?
3-iodo-8-methylspiro[4.4]nonane has a molecular weight of 264.15 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-8-methylspiro[4.4]nonane is sourced from PubChem (CID 154690645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).