Propylcyclohexane

CAT: 0127-OR1029583-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1029583-02Size:5 g

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CAS Number

1678-92-8

Synonyms

Propylcyclohexane

Purity

98%

Smiles

CCCC1CCCCC1

Chemical Information

Propylcyclohexane

Propyl-Cyclohexane is a cycloalkane.

CAS Number	1678-92-8
PubChem CID	15505
IUPAC Name	propylcyclohexane
Molecular Formula	C9H18
Molecular Weight	126.24
XLogP	4.6
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	60

SMILES

CCCC1CCCCC1

InChI

InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChIKey

DEDZSLCZHWTGOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1678-92-8

CID: 15505

Formula: C9H18

MW: 126.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.24
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	126.140850574
Monoisotopic Mass	126.140850574
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	60.4
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
OR937838-01	2-Propylcyclohexanone
OR200161	3-Propylcyclohexanone
OR5043	Propylcyclohexan-4-one
OR939021	Trans-4-propylcyclohexanol
OR1004172-01	3-Propylcyclohexan-1-ol
OR21917-01	4-Propylcyclohexan-1-ol
OR1094588	1-Phenyl-4-propylcyclohexanol
OR1101911-01	2-Methoxy-4-propylcyclohexanol
OR1079223-01	2-Propylcyclohexanol (cis- and trans- mixture)

Catalog	Name
TN9247-01	Propylcyclohexane
P26890-01	N-Propylcyclohexane 98%
RG-A261138-01	1-Methyl-3-Propylcyclohexane
JIA73540-01	4-Propylcyclohexane-1-carbaldehyde
RG-A261137-01	1-Methyl-2-Propylcyclohexane
166848	Trans-1-Methyl-2-propylcyclohexane
sc-357065	5-Propylcyclohexane-1,3-dione
SQB02729-01	1-Amino-N-propylcyclohexane-1-carboxamide