Iodocyclopentane

CAS: 1556-18-9 · C5H9I

2D Structure

Loading 3D structure...

CAS Registry Number

1556-18-9

SMILES

IC1CCCC1

InChI Key

PCEBAZIVZVIQEO-UHFFFAOYSA-N

InChI

InChI=1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	196.03 g/mol	CAS Common Chemistry
	196.03099999999995 g/mol	RDKit
	196.031 g/mol	RDKit
Density	1.18 g/cm³	CAS Common Chemistry
	1.1754 g/cm3 @ 0 °C	CAS Common Chemistry
Boiling Point	166.5 °C	CAS Common Chemistry
Canonical SMILES	IC1CCCC1	CAS Common Chemistry
InChI	InChI=1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2	CAS Common Chemistry
InChI Key	InChIKey=PCEBAZIVZVIQEO-UHFFFAOYSA-N	CAS Common Chemistry
Name	Iodocyclopentane	CAS Common Chemistry
Heavy Atom Count	6	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.3640000000000008	RDKit
	2.364	RDKit
Molar Refractivity	36.276 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	195.974898288 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 196.03 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)