4-[2-(tert-butoxy)-2-oxoethyl]oxane-4-carboxylic acid

4-[2-(tert-butoxy)-2-oxoethyl]oxane-4-carboxylic acid

Formula: C12H20O5

SMILES: CC(C)(C)OC(=O)CC1(CCOCC1)C(O)=O

IUPAC: 4-[2-(tert-butoxy)-2-oxoethyl]oxane-4-carboxylic acid

InChI: InChI=1S/C12H20O5/c1-11(2,3)17-9(13)8-12(10(14)15)4-6-16-7-5-12/h4-8H2,1-3H3,(H,14,15)

Composition: C (59.00%), H (8.25%), O (32.75%)

Molar Mass: 244.287

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	244.131073744
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QACCOGYLZTWYBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.74
Topological Polar Surface Area	72.83
Polarizability	24.16
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H20O5		Quote Only