acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate

C63H120O38S2 — CID 157452805

IUPACacetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate
SMILESCCC(=O)COCOC(C)=O.CCC(=O)OCOC(C)=O.CCOC(=O)COC(C)=O.CCOCC(=O)OCOC(C)=O.CCOCOC(=O)COC(C)=O.CCOCOCOC(C)=O.CCOCSCOC(C)=O.COC(=O)C(C)OC.COC(C)OC.COC(C)OC(C)=O.COC(C)SC
InChIInChI=1S/2C7H12O5.C7H12O4.C6H12O4.2C6H10O4.C6H12O3S.2C5H10O3.C4H10O2.C4H10OS/c1-3-10-5-12-7(9)4-11-6(2)8;1-3-10-4-7(9)12-5-11-6(2)8;1-3-7(9)4-10-5-11-6(2)8;1-3-8-4-9-5-10-6(2)7;1-3-9-6(8)4-10-5(2)7;1-3-6(8)10-4-9-5(2)7;1-3-8-4-10-5-9-6(2)7;1-4(7-2)5(6)8-3;1-4(6)8-5(2)7-3;2*1-4(5-2)6-3/h2*3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;2*3-4H2,1-2H3;3-5H2,1-2H3;4H,1-3H3;5H,1-3H3;2*4H,1-3H3
InChIKeyBSZMGODHTLCVSM-UHFFFAOYSA-N
MW1549.75 g/mol
LogP5.70
Rot. Bonds39

About acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate

acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate (PubChem CID 157452805) has the molecular formula C63H120O38S2 and a molecular weight of 1549.75 g/mol. Its IUPAC name is acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate.

Molecular Properties

Compound Nameacetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate
PubChem CID157452805
Molecular FormulaC63H120O38S2
Molecular Weight1549.75 g/mol
Exact Mass1548.69
IUPAC Nameacetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate
SMILESCCC(=O)COCOC(C)=O.CCC(=O)OCOC(C)=O.CCOC(=O)COC(C)=O.CCOCC(=O)OCOC(C)=O.CCOCOC(=O)COC(C)=O.CCOCOCOC(C)=O.CCOCSCOC(C)=O.COC(=O)C(C)OC.COC(C)OC.COC(C)OC(C)=O.COC(C)SC
InChIInChI=1S/2C7H12O5.C7H12O4.C6H12O4.2C6H10O4.C6H12O3S.2C5H10O3.C4H10O2.C4H10OS/c1-3-10-5-12-7(9)4-11-6(2)8;1-3-10-4-7(9)12-5-11-6(2)8;1-3-7(9)4-10-5-11-6(2)8;1-3-8-4-9-5-10-6(2)7;1-3-9-6(8)4-10-5(2)7;1-3-6(8)10-4-9-5(2)7;1-3-8-4-10-5-9-6(2)7;1-4(7-2)5(6)8-3;1-4(6)8-5(2)7-3;2*1-4(5-2)6-3/h2*3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;2*3-4H2,1-2H3;3-5H2,1-2H3;4H,1-3H3;5H,1-3H3;2*4H,1-3H3
InChIKeyBSZMGODHTLCVSM-UHFFFAOYSA-N
XLogP5.70
TPSA460.50 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds39
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.75
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate with MolForge

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Related Compounds

acetyloxymethyl acetate;acetyloxymethyl propanoate;diethyl propanedioate;ethoxymethoxymethyl acetate;ethoxymethyl acetate;ethyl 2-acetyloxyacetate;ethylsulfanylmethyl acetate;methoxymethyl acetate;methyl 2-acetyloxyacetate;methylsulfanylmethyl acetate;2-oxobutyl acetate;2-oxopropyl acetate
CID 162183543
[2-[[2-(2-acetyloxypropanoyloxy)acetyl]oxymethoxy]-2-oxoethyl] 2-methoxypropanoate;methane
CID 158497271
methyl (2S)-2-acetyloxy-2-(2-ethoxy-2-oxoethoxy)acetate
CID 101037713
1,1-dimethoxyethane;ethyl acetate;trihydrobromide
CID 173412257
acetyloxymethyl acetate;ethyl 2-acetyloxyacetate;3-O-ethyl 1-O-methyl propanedioate;ethyl 3-oxobutanoate;methoxymethyl acetate;methyl 2-acetyloxyacetate;methylsulfanylmethyl acetate;bis(2-oxopropyl acetate)
CID 160841470
[2-(ethoxymethoxy)-2-oxoethyl] 2-(2-oxopropanoyloxy)propanoate
CID 161302430
acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate
CID 19748395
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 4-(2-methoxy-2-oxoethoxy)-3-oxobutanoate
CID 13457217
bis(1-ethoxypropan-2-one);ethyl acetate;ethyl propanoate;bis(1-methoxybutan-2-one);bis(4-methoxybutan-2-one);methyl butanoate;pentan-2-one;pentan-3-one;propyl acetate
CID 158411526
benzene;ethyl 2-ethoxyacetate
CID 174867683

Frequently Asked Questions

What is the IUPAC name of acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate?
The IUPAC name of acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate (CID 157452805) is acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate.
What is the SMILES notation for acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate?
The canonical SMILES for acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate is CCC(=O)COCOC(C)=O.CCC(=O)OCOC(C)=O.CCOC(=O)COC(C)=O.CCOCC(=O)OCOC(C)=O.CCOCOC(=O)COC(C)=O.CCOCOCOC(C)=O.CCOCSCOC(C)=O.COC(=O)C(C)OC.COC(C)OC.COC(C)OC(C)=O.COC(C)SC.
What is the InChIKey of acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate?
The InChIKey is BSZMGODHTLCVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O5.C7H12O4.C6H12O4.2C6H10O4.C6H12O3S.2C5H10O3.C4H10O2.C4H10OS/c1-3-10-5-12-7(9)4-11-6(2)8;1-3-10-4-7(9)12-5-11-6(2)8;1-3-7(9)4-10-5-11-6(2)8;1-3-8-4-9-5-10-6(2)7;1-3-9-6(8)4-10-5(2)7;1-3-6(8)10-4-9-5(2)7;1-3-8-4-10-5-9-6(2)7;1-4(7-2)5(6)8-3;1-4(6)8-5(2)7-3;2*1-4(5-2)6-3/h2*3-5H2,1-2H3;3-5H2,1-2H3;3-5H2,1-2H3;2*3-4H2,1-2H3;3-5H2,1-2H3;4H,1-3H3;5H,1-3H3;2*4H,1-3H3.
What are the key properties of acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate?
acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate has a molecular weight of 1549.75 g/mol, XLogP of 5.70, 39 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 2-ethoxyacetate;acetyloxymethyl propanoate;1,1-dimethoxyethane;ethoxymethoxymethyl acetate;ethoxymethyl 2-acetyloxyacetate;ethoxymethylsulfanylmethyl acetate;ethyl 2-acetyloxyacetate;1-methoxyethyl acetate;1-methoxy-1-methylsulfanylethane;methyl 2-methoxypropanoate;2-oxobutoxymethyl acetate is sourced from PubChem (CID 157452805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).