Pentylcyclohexane

CAT: 0127-OR939206-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR939206-02Size:5 g

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CAS Number

4292-92-6

MDL Number

MFCD00019402

Purity

98%

Smiles

CCCCCC1CCCCC1

Chemical Information

Pentylcyclohexane

pentylcyclohexane has been reported in Chrysanthemum indicum with data available.

CAS Number	4292-92-6
PubChem CID	20284
IUPAC Name	pentylcyclohexane
Molecular Formula	C11H22
Molecular Weight	154.29
XLogP	5.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	80

SMILES

CCCCCC1CCCCC1

InChI

InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3

InChIKey

HLTMUYBTNSVOFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4292-92-6

CID: 20284

Formula: C11H22

MW: 154.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.29
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	154.172150702
Monoisotopic Mass	154.172150702
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	80
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
OR914341-01	4-Pentylcyclohexanone
OR922544-01	4-Pentylcyclohexanol
OR32321-01	4-Acetyl-4-pentylcyclohexan-1-one
OR1038598	2,5-Di-tert-pentylcyclohexa-2,5-diene-1,4-dione

Catalog	Name
sc-279784	N-Pentylcyclohexane
P04647	Tert-Pentylcyclohexane 99%
FH184116-01	2-Heptyl-3,4-bis (9-isocyanatononyl) -1-pentylcyclohexane