1-iodo-2-pentan-3-yloxycyclooctane

C13H25IO — CID 165493288

IUPAC1-iodo-2-pentan-3-yloxycyclooctane
SMILESCCC(CC)OC1CCCCCCC1I
InChIInChI=1S/C13H25IO/c1-3-11(4-2)15-13-10-8-6-5-7-9-12(13)14/h11-13H,3-10H2,1-2H3
InChIKeyWLJZLTNXQGOHMX-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.72
Rot. Bonds4

About 1-iodo-2-pentan-3-yloxycyclooctane

1-iodo-2-pentan-3-yloxycyclooctane (PubChem CID 165493288) has the molecular formula C13H25IO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-iodo-2-pentan-3-yloxycyclooctane.

Molecular Properties

Compound Name1-iodo-2-pentan-3-yloxycyclooctane
PubChem CID165493288
Molecular FormulaC13H25IO
Molecular Weight324.25 g/mol
Exact Mass324.10
IUPAC Name1-iodo-2-pentan-3-yloxycyclooctane
SMILESCCC(CC)OC1CCCCCCC1I
InChIInChI=1S/C13H25IO/c1-3-11(4-2)15-13-10-8-6-5-7-9-12(13)14/h11-13H,3-10H2,1-2H3
InChIKeyWLJZLTNXQGOHMX-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-cyclobutylpropoxy)-2-iodocycloheptane
CID 165486360
1-bromo-2-pentan-3-yloxycyclopentane
CID 165489513
2-hexan-3-yloxycycloheptan-1-ol
CID 57206256
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
(2-iodocyclododecyl)oxy-trimethylsilane
CID 12624042
1-(2-ethylhexoxy)-2-iodocycloheptane
CID 114773387
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146
1-(cyclohexylmethoxy)-2-iodocyclohexane
CID 114774023
2-(2-methylcyclohexyl)oxy-N-propan-2-ylbutan-1-amine
CID 62444537
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
CID 114775044
1-iodo-2-pentoxycyclopentane
CID 114773690

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-pentan-3-yloxycyclooctane?
The IUPAC name of 1-iodo-2-pentan-3-yloxycyclooctane (CID 165493288) is 1-iodo-2-pentan-3-yloxycyclooctane.
What is the SMILES notation for 1-iodo-2-pentan-3-yloxycyclooctane?
The canonical SMILES for 1-iodo-2-pentan-3-yloxycyclooctane is CCC(CC)OC1CCCCCCC1I.
What is the InChIKey of 1-iodo-2-pentan-3-yloxycyclooctane?
The InChIKey is WLJZLTNXQGOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IO/c1-3-11(4-2)15-13-10-8-6-5-7-9-12(13)14/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-iodo-2-pentan-3-yloxycyclooctane?
1-iodo-2-pentan-3-yloxycyclooctane has a molecular weight of 324.25 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-pentan-3-yloxycyclooctane is sourced from PubChem (CID 165493288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).