4-(2-iodocyclopentyl)oxyoxane

C10H17IO2 — CID 114772305

IUPAC4-(2-iodocyclopentyl)oxyoxane
SMILESIC1CCCC1OC1CCOCC1
InChIInChI=1S/C10H17IO2/c11-9-2-1-3-10(9)13-8-4-6-12-7-5-8/h8-10H,1-7H2
InChIKeyWAJCNCYWLRLCCY-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.54
Rot. Bonds2

About 4-(2-iodocyclopentyl)oxyoxane

4-(2-iodocyclopentyl)oxyoxane (PubChem CID 114772305) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 4-(2-iodocyclopentyl)oxyoxane.

Molecular Properties

Compound Name4-(2-iodocyclopentyl)oxyoxane
PubChem CID114772305
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name4-(2-iodocyclopentyl)oxyoxane
SMILESIC1CCCC1OC1CCOCC1
InChIInChI=1S/C10H17IO2/c11-9-2-1-3-10(9)13-8-4-6-12-7-5-8/h8-10H,1-7H2
InChIKeyWAJCNCYWLRLCCY-UHFFFAOYSA-N
XLogP2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
CID 165493538
1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
CID 114773596
1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
CID 114775186
1,2-dicyclopropyloxycyclohexane
CID 175423114
cyclobutyloxycyclobutane;hydrofluoride
CID 174842144
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
trans-(1R,2R)-2-cyclobutyloxycyclopentan-1-ol
CID 131703611
3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
(3aS,4R,6aR)-4-cyclobutyloxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 163910669
3-(oxan-4-yloxy)piperidine;hydrochloride
CID 167716540
1-(cyclobutylmethoxy)-2-iodocyclohexane
CID 165489873

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodocyclopentyl)oxyoxane?
The IUPAC name of 4-(2-iodocyclopentyl)oxyoxane (CID 114772305) is 4-(2-iodocyclopentyl)oxyoxane.
What is the SMILES notation for 4-(2-iodocyclopentyl)oxyoxane?
The canonical SMILES for 4-(2-iodocyclopentyl)oxyoxane is IC1CCCC1OC1CCOCC1.
What is the InChIKey of 4-(2-iodocyclopentyl)oxyoxane?
The InChIKey is WAJCNCYWLRLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO2/c11-9-2-1-3-10(9)13-8-4-6-12-7-5-8/h8-10H,1-7H2.
What are the key properties of 4-(2-iodocyclopentyl)oxyoxane?
4-(2-iodocyclopentyl)oxyoxane has a molecular weight of 296.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodocyclopentyl)oxyoxane is sourced from PubChem (CID 114772305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).