Iodocyclohexane

CAS: 626-62-0 · C6H11I

2D Structure

Loading 3D structure...

CAS Registry Number

626-62-0

SMILES

IC1CCCCC1

InChI Key

FUCOMWZKWIEKRK-UHFFFAOYSA-N

InChI

InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	210.06 g/mol	CAS Common Chemistry
	210.05799999999994 g/mol	RDKit
	210.058 g/mol	RDKit
Density	1.62 g/cm³	CAS Common Chemistry
	1.624 g/cm3 @ 20 °C	CAS Common Chemistry
Canonical SMILES	IC1CCCCC1	CAS Common Chemistry
InChI	InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2	CAS Common Chemistry
InChI Key	InChIKey=FUCOMWZKWIEKRK-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	52 °C	CAS Common Chemistry
Name	Iodocyclohexane	CAS Common Chemistry
Heavy Atom Count	7	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	2.754100000000001	RDKit
	2.7541	RDKit
Molar Refractivity	40.893000000000015 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	209.990548352 g/mol	RDKit
Boiling Point	81-83 °C @ 20 Torr	CAS Common Chemistry

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 = 210.06 g/mol; density = 1.620 g/mL. Edit any field — others recompute live.

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