Octadecylcyclohexane

CAT: 0127-OR1078720-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1078720-02Size:25 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4445-06-1

Synonyms

1-Cyclohexyloctadecane / Stearylcyclohexane

MDL Number

MFCD00058953

Purity

>98.0%

Smiles

CCCCCCCCCCCCCCCCCCC1CCCCC1

Chemical Information

1-Cyclohexyloctadecane

1-Cyclohexyloctadecane is a cycloalkane.

CAS Number	4445-06-1
PubChem CID	20514
IUPAC Name	octadecylcyclohexane
Molecular Formula	C24H48
Molecular Weight	336.6
XLogP	12.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	17
Heavy Atom Count	24
Formal Charge	0
Complexity	226

SMILES

CCCCCCCCCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C24H48/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h24H,2-23H2,1H3

InChIKey

MWWVNZNVTGBKQO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4445-06-1

CID: 20514

Formula: C24H48

MW: 336.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.6
XLogP3	12.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	17
Exact Mass	336.375601531
Monoisotopic Mass	336.375601531
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	226
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-489019	Octadecylcyclohexane
286352-01	N-Octadecylcyclohexane