acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate

C60H94O24 — CID 159857297

IUPACacetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate
SMILESC=C1OC(C)=C(COC(=O)C(C)C)O1.CC(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C(C)(C)C.CC(C)C(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C1CCCCC1.CC(C)C(=O)OCOC(=O)c1ccccc1
InChIInChI=1S/C12H20O4.C12H14O4.C10H14O4.C10H18O4.C9H16O4.C7H12O4/c2*1-9(2)11(13)15-8-16-12(14)10-6-4-3-5-7-10;1-6(2)10(11)12-5-9-7(3)13-8(4)14-9;1-7(2)8(11)13-6-14-9(12)10(3,4)5;1-6(2)8(10)12-5-13-9(11)7(3)4;1-5(2)7(9)11-4-10-6(3)8/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;6H,4-5H2,1-3H3;7H,6H2,1-5H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3
InChIKeyNQROEAKKVZNBHD-UHFFFAOYSA-N
MW1199.39 g/mol
LogP9.98
Rot. Bonds21

About acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate

acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate (PubChem CID 159857297) has the molecular formula C60H94O24 and a molecular weight of 1199.39 g/mol. Its IUPAC name is acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate.

Molecular Properties

Compound Nameacetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate
PubChem CID159857297
Molecular FormulaC60H94O24
Molecular Weight1199.39 g/mol
Exact Mass1198.61
IUPAC Nameacetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate
SMILESC=C1OC(C)=C(COC(=O)C(C)C)O1.CC(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C(C)(C)C.CC(C)C(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C1CCCCC1.CC(C)C(=O)OCOC(=O)c1ccccc1
InChIInChI=1S/C12H20O4.C12H14O4.C10H14O4.C10H18O4.C9H16O4.C7H12O4/c2*1-9(2)11(13)15-8-16-12(14)10-6-4-3-5-7-10;1-6(2)10(11)12-5-9-7(3)13-8(4)14-9;1-7(2)8(11)13-6-14-9(12)10(3,4)5;1-6(2)8(10)12-5-13-9(11)7(3)4;1-5(2)7(9)11-4-10-6(3)8/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;6H,4-5H2,1-3H3;7H,6H2,1-5H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3
InChIKeyNQROEAKKVZNBHD-UHFFFAOYSA-N
XLogP9.98
TPSA307.76 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.39
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(acetyloxymethoxycarbonylamino)-3-(acetyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(benzoyloxymethoxycarbonylamino)-3-(benzoyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(cyclohexanecarbonyloxymethoxycarbonylamino)-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-3-(2,2-dimethylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(2-methylpropanoyloxymethoxycarbonylamino)-3-(2-methylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid
CID 157432691
1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate
CID 165068596
cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate
CID 161449107
2-methylpropanoyloxymethyl 4-methylbenzoate
CID 153349811
1-(cyclohexanecarbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;cyclohexanecarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;1-(2,2-dimethylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;2,2-dimethylpropanoyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;[1-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 4H-furo[3,2-b]pyrrole-5-carboxylate;1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate;[2-methyl-1-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate;1-(2-methylpropanoyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;2-methylpropanoyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;1-(2-methylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 159647740
1-acetyloxyethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;acetyloxymethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;benzoyloxymethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;benzyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;2,2-dimethylpropanoyloxymethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;1-ethoxycarbonyloxyethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;2-ethylbutanoyloxymethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;ethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;2-methylpropanoyloxymethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate;1-propan-2-yloxycarbonyloxyethyl (3R)-2-hydroxy-3-(2-oxopentyl)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylate
CID 157291268
2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate
CID 159820169
2-(2-benzoyloxyacetyl)oxyethyl-trimethylazanium;tetrakis(2-benzoyloxyethyl(trimethyl)azanium);butane;2-[2-(cyclohexanecarbonyloxy)acetyl]oxyethyl-trimethylazanium;2,2-dimethylpropane;2-methylpropane;pentane
CID 161482053
benzenecarbonothioyloxymethyl 2-methylpropanoate
CID 139615023
2,3-bis(cyclohexanecarbonyloxy)propyl cyclohexanecarboxylate;2,3-dibenzoyloxypropyl benzoate;methane
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[tert-butyl-(2-oxo-2-phenylmethoxyethyl)carbamoyl]oxymethyl cyclohexanecarboxylate
CID 66674601
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CID 158805672

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?
The IUPAC name of acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate (CID 159857297) is acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate.
What is the SMILES notation for acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?
The canonical SMILES for acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate is C=C1OC(C)=C(COC(=O)C(C)C)O1.CC(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C(C)(C)C.CC(C)C(=O)OCOC(=O)C(C)C.CC(C)C(=O)OCOC(=O)C1CCCCC1.CC(C)C(=O)OCOC(=O)c1ccccc1.
What is the InChIKey of acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?
The InChIKey is NQROEAKKVZNBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4.C12H14O4.C10H14O4.C10H18O4.C9H16O4.C7H12O4/c2*1-9(2)11(13)15-8-16-12(14)10-6-4-3-5-7-10;1-6(2)10(11)12-5-9-7(3)13-8(4)14-9;1-7(2)8(11)13-6-14-9(12)10(3,4)5;1-6(2)8(10)12-5-13-9(11)7(3)4;1-5(2)7(9)11-4-10-6(3)8/h9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;6H,4-5H2,1-3H3;7H,6H2,1-5H3;6-7H,5H2,1-4H3;5H,4H2,1-3H3.
What are the key properties of acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate?
acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate has a molecular weight of 1199.39 g/mol, XLogP of 9.98, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-methylpropanoate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 2-methylpropanoate;2-methylpropanoyloxymethyl benzoate;2-methylpropanoyloxymethyl cyclohexanecarboxylate;2-methylpropanoyloxymethyl 2,2-dimethylpropanoate;2-methylpropanoyloxymethyl 2-methylpropanoate is sourced from PubChem (CID 159857297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).