Ethyl 1-hydroxy-α, α-dimethylcyclobutaneacetate

CAT: 0127-OR1094412-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1094412-01Size:250 mg

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CAS Number

86426-02-0

Purity

95%

Smiles

C (C (=O) OCC) (C) (C) C1 (O) CCC1

Chemical Information

Ethyl 2-(1-hydroxycyclobutyl)-2-methylpropanoate

CAS Number	86426-02-0
PubChem CID	13082621
IUPAC Name	ethyl 2-(1-hydroxycyclobutyl)-2-methylpropanoate
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	4
Heavy Atom Count	13
Formal Charge	0
Complexity	204

SMILES

CCOC(=O)C(C)(C)C1(CCC1)O

InChI

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

InChIKey

SWHKVYNKMBHCIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86426-02-0

CID: 13082621

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	4
Exact Mass	186.125594432
Monoisotopic Mass	186.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204
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
OR1079862-01	Ethyl 1-hydroxy-α, α-dimethylcyclohexaneacetate
OR1094413-01	Ethyl 1-hydroxy-α, α-dimethylcyclopentaneacetate
OR1092034-01	Ethyl β-hydroxy-α, α-dimethylbenzenepropanoate
OR1081557-01	Ethyl β-hydroxy-α, α-dimethylcyclopentanepropanoate
OR1098795-01	Ethyl β-hydroxy-β-methylcyclopropanepropanoate
OR1081588-01	Ethyl β-hydroxy-α, α-dimethylcyclopropanepropanoate
OR1051604	Cis-Ethyl 4-hydroxy-1-methylcyclohexanecarboxylate
OR1034878	Ethyl trans-4-hydroxy-1-methylcyclohexanecarboxylate
OR918652-01	4- (1-Hydroxy-ethyl) -benzoic acid
OR1096615-01	Ethyl α-hydroxy-α,3-dimethylbenzeneacetate

Catalog	Name
UNA24871-01	Ethyl 1-hydroxy-2-methylcyclopropanecarboxylate
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MBS6103100-01	1-Hydroxy(ethyl-d4)-2'-deoxyadenosine
sc-495589	1-Hydroxy (ethyl-d4) -2'-deoxyadenosine
AFB63680-01	Ethyl 1-ethyl-5-hydroxy-1H-pyrazole-3-carboxylate
WLC67156-01	Ethyl 1-ethyl-5-hydroxy-1H-pyrazole-4-carboxylate
HY-W130007	Hydroxy-PEG3-ethyl ester
TN5841	Ethyl 13-hydroxy-α-linolenate
HY-W096154	Hydroxy-PEG3-ethyl acetate