Ethyl β-hydroxy-α, α-dimethylcyclopentanepropanoate

CAT: 0127-OR1081557-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081557-01Size:250 mg

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CAS Number

1248294-13-4

Purity

95%

Smiles

C (C (C (=O) OCC) (C) C) (O) C1CCCC1

Chemical Information

Ethyl beta-hydroxy-alpha,alpha-dimethylcyclopentanepropanoate

CAS Number	1248294-13-4
PubChem CID	62397213
IUPAC Name	ethyl 3-cyclopentyl-3-hydroxy-2,2-dimethylpropanoate
Molecular Formula	C12H22O3
Molecular Weight	214.30
XLogP	2.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	217

SMILES

CCOC(=O)C(C)(C)C(C1CCCC1)O

InChI

InChI=1S/C12H22O3/c1-4-15-11(14)12(2,3)10(13)9-7-5-6-8-9/h9-10,13H,4-8H2,1-3H3

InChIKey

BJRIYZKDKMLEKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1248294-13-4

CID: 62397213

Formula: C12H22O3

MW: 214.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.30
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	214.15689456
Monoisotopic Mass	214.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	217
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
OR1081588-01	Ethyl β-hydroxy-α, α-dimethylcyclopropanepropanoate
OR1092034-01	Ethyl β-hydroxy-α, α-dimethylbenzenepropanoate
OR1098795-01	Ethyl β-hydroxy-β-methylcyclopropanepropanoate
OR1094413-01	Ethyl 1-hydroxy-α, α-dimethylcyclopentaneacetate
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OR1031362-01	Ethyl 4-hydroxy-a, ?-dioxobenzenebutanoate
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OR1096615-01	Ethyl α-hydroxy-α,3-dimethylbenzeneacetate
BIPG1440-01	Hydroxy-PEG3-ethyl ester

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