2-iodoadamantane

C10H15I — CID 584609

IUPAC2-iodoadamantane
SMILESIC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H15I/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyFAAVMSFWSBVPRS-UHFFFAOYSA-N
MW262.13 g/mol
LogP3.25
Rot. Bonds

About 2-iodoadamantane

2-iodoadamantane (PubChem CID 584609) has the molecular formula C10H15I and a molecular weight of 262.13 g/mol. Its IUPAC name is 2-iodoadamantane.

Molecular Properties

Compound Name2-iodoadamantane
PubChem CID584609
Molecular FormulaC10H15I
Molecular Weight262.13 g/mol
Exact Mass262.02
IUPAC Name2-iodoadamantane
SMILESIC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C10H15I/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
InChIKeyFAAVMSFWSBVPRS-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 53.25
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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Related Compounds

2-iodo-3-methylbicyclo[3.1.1]heptane
CID 89418327
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
3,6-diiodobicyclo[3.1.1]heptane
CID 170185252
adamantane;ruthenium(2+)
CID 175795757
adamantane;hydrobromide
CID 68587587
adamantane;hydrate
CID 137498586
(1R,3S,4S,5R,7S)-4-iodoadamantan-2-one
CID 98536749
2-deuterio-2-(2-deuterio-2-adamantyl)adamantane
CID 10492446
2-(1-iodoethyl)adamantane
CID 23001063
(1S,4R,8S)-4-chlorotricyclo[4.3.1.13,8]undecane
CID 98539610
2-[2-(2-adamantyl)ethynyl]adamantane
CID 19857439
ethane;2-methyladamantane
CID 90765849

Frequently Asked Questions

What is the IUPAC name of 2-iodoadamantane?
The IUPAC name of 2-iodoadamantane (CID 584609) is 2-iodoadamantane.
What is the SMILES notation for 2-iodoadamantane?
The canonical SMILES for 2-iodoadamantane is IC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-iodoadamantane?
The InChIKey is FAAVMSFWSBVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15I/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2.
What are the key properties of 2-iodoadamantane?
2-iodoadamantane has a molecular weight of 262.13 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoadamantane is sourced from PubChem (CID 584609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).