2-Cyclopentyl-n-hexanoic acid

CAT: 0024-sc-307827Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-307827Size:5 g

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CAS Number

5623-89-2

Chemical Information

2-Cyclopentylhexanoic acid

CAS Number	5623-89-2
PubChem CID	246850
IUPAC Name	2-cyclopentylhexanoic acid
Molecular Formula	C11H20O2
Molecular Weight	184.27
XLogP	3.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	159

SMILES

CCCCC(C1CCCC1)C(=O)O

InChI

InChI=1S/C11H20O2/c1-2-3-8-10(11(12)13)9-6-4-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)

InChIKey

LRAVOQZFSQRPTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5623-89-2

CID: 246850

Formula: C11H20O2

MW: 184.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.27
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	184.146329876
Monoisotopic Mass	184.146329876
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-215146	Hexanoic acid
sc-215146A	Hexanoic acid
sc-220421	Zonisamide-N- (6-hexanoic Acid)
sc-272222	(R) -2-Hydroxymethyl-hexanoic acid
sc-496601	2,3-Dimethyl-hexanoic acid
sc-257590	Hexanoic-d11 acid
sc-301321	N-Cyclopentyl 2-bromobenzamide
sc-355590A	N-cyclopentyl-2-hydroxybenzamide
sc-355590	N-cyclopentyl-2-hydroxybenzamide
sc-301321A	N-Cyclopentyl 2-bromobenzamide

Catalog	Name
FCA51300-01	2- (Carbamoylamino) hexanoic acid
AK HD C024-01	2- (aminomethyl) hexanoic acid
OR1046980-01	2- (Hydroxymethyl) hexanoic acid
AR-H01118-01	2-Ethyl Hexanoic Acid
MBS392047-01	Hexanoic Acid
AR-P29769-01	Perfluoro-n-[1,2-13C2]hexanoic acid
Z700010	Zonisamide-N-(6-hexanoic Acid)
022997	Zonisamide-N- (6-hexanoic Acid)
OR1056137-01	6- (N-Methylphenylsulfonamido) hexanoic acid
OR902690-01	6-Chloro-N-hexanoic acid