L-Menthyl 2,2-dihydroxyacetate

CAT: 0926-FM43993Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FM43993Size:250 g

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CAS Number

111969-64-3

MDL Number

MFCD00673320

Smiles

C[C@@H]1CC[C@H] ([C@@H] (C1) OC (=O) C (O) O) C (C) C

Molecular Formula

C12H22O4

Molecular Weight

230.3 g/mol

Controlled

Chemical Information

2S-isopropyl-5R-methyl-1R-cyclohexyl 2,2-dihydroxyacetate

CAS Number	111969-64-3
PubChem CID	7373179
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
Molecular Formula	C12H22O4
Molecular Weight	230.30
XLogP	2.4
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	237

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(O)O)C(C)C

InChI

InChI=1S/C12H22O4/c1-7(2)9-5-4-8(3)6-10(9)16-12(15)11(13)14/h7-11,13-14H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

InChIKey

BWZMJRSMHQDFIT-KXUCPTDWSA-N

Chemical Structure

2D Structure

CAS: 111969-64-3

CID: 7373179

Formula: C12H22O4

MW: 230.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.30
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	230.15180918
Monoisotopic Mass	230.15180918
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
FM61023-01	(-) -Menthyl chloroformate
RAA40945-01	Menthyl acetate
AAA13409-01	Menthyl Anthranilate
FM139285	(1R) - (-) -Menthyl acetate
PWB33436-01	Ibiox[ (−) -menthyl] hotf
FT92987-01	N- (2,2,2-Trifluoroacetyl) -L-valyl-L-tyrosyl-L-valine
FM44476-01	L-Menthol
FO99546-01	N2- (1-Oxohexadecyl) -L-lysyl-L-valyl-L-lysine 2,2,2-trifluoroacetate (1:2)
FA50698-01	L-2-Aminomethylphenylalanine
FA61400-01	L-2-Aminobutanamide

Catalog	Name
TRC-M219145-1G	L-Menthyl 2,2-Dihydroxyacetate
445603-01	D-Menthyl 2,2-Dihydroxyacetate
sc-209409	(2R,5R) -L-Menthyl-5- (acetyloxy) -1,3-oxathiolane-2-carboxylate
sc-206564	(2R,5S) -L-Menthyl-5- (acetyloxy) -1,3-oxathiolane-2-carboxylate
272507-01	(1S,2R) -3,3-Dimethoxy-1,2-cyclobutanedicarboxylic acid di-L-menthyl ester
abx180207-01	2-(4-Pyridyl)-4-Hydroxy-6-Menthyl Pyrimidine
sc-300956	(-) -Menthyl (S) -1-[ (R) -α-methylbenzyl]aziridine-2-carboxylate
sc-300955	(-) -Menthyl (R) -1-[ (R) -α-methylbenzyl]aziridine-2-carboxylate
sc-209411	(2R,5S) -L-Menthyl-5- (4-amino-2-oxo-1 (2H) -pyrimidinyl) -1,3-oxathiolane-2-carboxylate
PC1003847-01	L-Prolyl-L-prolyl-L-proline 2,2,2-trifluoroacetate