Propyl 2- (1-hydroxycyclopentyl) acetate

CAT: 0127-OR1086246-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1086246-01Size:250 mg

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CAS Number

1862971-53-6

MDL Number

MFCD35178075

Purity

95%

Smiles

C (C (=O) OCCC) C1 (O) CCCC1

Chemical Information

Propyl 2-(1-hydroxycyclopentyl)acetate

CAS Number	1862971-53-6
PubChem CID	177689988
IUPAC Name	propyl 2-(1-hydroxycyclopentyl)acetate
Molecular Formula	C10H18O3
Molecular Weight	186.25
XLogP	1.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	171

SMILES

CCCOC(=O)CC1(CCCC1)O

InChI

InChI=1S/C10H18O3/c1-2-7-13-9(11)8-10(12)5-3-4-6-10/h12H,2-8H2,1H3

InChIKey

GCVQWWVHIOZDMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1862971-53-6

CID: 177689988

Formula: C10H18O3

MW: 186.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.25
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171
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
OR1099623	Ethyl 2- (1-hydroxycyclopentyl) acetate
OR1098504-01	Methyl 2- (1-hydroxycyclopentyl) acetate
OR1086278-01	Isopropyl 2- (1-hydroxycyclopentyl) acetate
OR1082361-01	Tert-butyl 2- (1-hydroxycyclopentyl) acetate
OR1005187	1-Methoxy-2-propyl acetate
OR1028870-01	2-Methoxy-1-Propyl Acetate
OR470597	3- (2-Piperidyl) propyl Acetate Acetate
OR302163	3-Chloro-2- (1-ethoxyethoxy) propyl acetate
OR1072536-01	2- (1-Hydroxycyclopentyl) -2-phenylacetic acid
OR1085267-01	Methyl 2- (1-hydroxycyclopentyl) -2-methylpropanoate

Catalog	Name
GTR19245496-01	1-Methoxy-2-propyl acetate
sc-266822	3-Phenyl-1-propyl acetate
T33998-01	Phenol, m- (1-methyl-3-propyl-3-pyrrolidinyl) -, acetate
MBS5783526	Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, acetate
T33987-01	Phenol, m- (1,2-dimethyl-3-propyl-3-pyrrolidinyl) -, acetate
MBS5783515	Phenol, m-(1,2-dimethyl-3-propyl-3-pyrrolidinyl)-, acetate
GTR19222953-01	Phenol, m- (1,5-dimethyl-3-propyl-3-pyrrolidinyl) -, acetate
sc-338441	Propyl 2-[1- (2-bromoacetyl) -3-oxo-2-piperazinyl]-acetate
MBS5783521	Phenol, m-(1,5-dimethyl-3-propyl-3-pyrrolidinyl)-, acetate
BG FA 0787-01	1-[3-[ (3,4-dichlorophenyl) carbamoyl]-2-sulfanylideneimidazolidin-1-yl]propyl acetate