1-(1-cyclobutylpropoxy)-2-iodocycloheptane

C14H25IO — CID 165486360

IUPAC1-(1-cyclobutylpropoxy)-2-iodocycloheptane
SMILESCCC(OC1CCCCCC1I)C1CCC1
InChIInChI=1S/C14H25IO/c1-2-13(11-7-6-8-11)16-14-10-5-3-4-9-12(14)15/h11-14H,2-10H2,1H3
InChIKeyAKWZCRCIUUTZFO-UHFFFAOYSA-N
MW336.26 g/mol
LogP4.72
Rot. Bonds4

About 1-(1-cyclobutylpropoxy)-2-iodocycloheptane

1-(1-cyclobutylpropoxy)-2-iodocycloheptane (PubChem CID 165486360) has the molecular formula C14H25IO and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(1-cyclobutylpropoxy)-2-iodocycloheptane.

Molecular Properties

Compound Name1-(1-cyclobutylpropoxy)-2-iodocycloheptane
PubChem CID165486360
Molecular FormulaC14H25IO
Molecular Weight336.26 g/mol
Exact Mass336.10
IUPAC Name1-(1-cyclobutylpropoxy)-2-iodocycloheptane
SMILESCCC(OC1CCCCCC1I)C1CCC1
InChIInChI=1S/C14H25IO/c1-2-13(11-7-6-8-11)16-14-10-5-3-4-9-12(14)15/h11-14H,2-10H2,1H3
InChIKeyAKWZCRCIUUTZFO-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
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-iodo-2-pentan-3-yloxycyclooctane
CID 165493288
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-(3-bicyclo[3.3.1]nonanyl)propyl hypoiodite
CID 166866691
1-iodo-2-pentoxycyclopentane
CID 114773690
1-(cyclohexylmethoxy)-2-iodocyclohexane
CID 114774023
1-(cyclobutylmethoxy)-2-iodocyclohexane
CID 165489873
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
butan-2-ylcyclohexadecane
CID 123713671
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylpropoxy)-2-iodocycloheptane?
The IUPAC name of 1-(1-cyclobutylpropoxy)-2-iodocycloheptane (CID 165486360) is 1-(1-cyclobutylpropoxy)-2-iodocycloheptane.
What is the SMILES notation for 1-(1-cyclobutylpropoxy)-2-iodocycloheptane?
The canonical SMILES for 1-(1-cyclobutylpropoxy)-2-iodocycloheptane is CCC(OC1CCCCCC1I)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylpropoxy)-2-iodocycloheptane?
The InChIKey is AKWZCRCIUUTZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25IO/c1-2-13(11-7-6-8-11)16-14-10-5-3-4-9-12(14)15/h11-14H,2-10H2,1H3.
What are the key properties of 1-(1-cyclobutylpropoxy)-2-iodocycloheptane?
1-(1-cyclobutylpropoxy)-2-iodocycloheptane has a molecular weight of 336.26 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-(1-cyclobutylpropoxy)-2-iodocycloheptane is sourced from PubChem (CID 165486360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).