ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate

C24H41ClO14 — CID 91217463

IUPACethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate
SMILESCCOC(=O)C(C)COC(=O)Cl.CCOC(=O)C(C)COC(=O)OC(C)C(=O)OCC.CCOC(=O)C(C)O
InChIInChI=1S/C12H20O7.C7H11ClO4.C5H10O3/c1-5-16-10(13)8(3)7-18-12(15)19-9(4)11(14)17-6-2;1-3-11-6(9)5(2)4-12-7(8)10;1-3-8-5(7)4(2)6/h8-9H,5-7H2,1-4H3;5H,3-4H2,1-2H3;4,6H,3H2,1-2H3
InChIKeyPVQSXCCZPPAXJO-UHFFFAOYSA-N
MW589.03 g/mol
LogP2.78
Rot. Bonds13

About ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate

ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate (PubChem CID 91217463) has the molecular formula C24H41ClO14 and a molecular weight of 589.03 g/mol. Its IUPAC name is ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate
PubChem CID91217463
Molecular FormulaC24H41ClO14
Molecular Weight589.03 g/mol
Exact Mass588.22
IUPAC Nameethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate
SMILESCCOC(=O)C(C)COC(=O)Cl.CCOC(=O)C(C)COC(=O)OC(C)C(=O)OCC.CCOC(=O)C(C)O
InChIInChI=1S/C12H20O7.C7H11ClO4.C5H10O3/c1-5-16-10(13)8(3)7-18-12(15)19-9(4)11(14)17-6-2;1-3-11-6(9)5(2)4-12-7(8)10;1-3-8-5(7)4(2)6/h8-9H,5-7H2,1-4H3;5H,3-4H2,1-2H3;4,6H,3H2,1-2H3
InChIKeyPVQSXCCZPPAXJO-UHFFFAOYSA-N
XLogP2.78
TPSA187.26 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.03
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 91446928
ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate
CID 58928740
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
ethyl 3-butanoyloxy-2-methylpropanoate
CID 174484909
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate;ethyl (2S)-2-hydroxypropanoate
CID 159999585
(1-ethoxy-1-oxopropan-2-yl) 4-amino-4-hydroxybutanoate
CID 123827890
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
(1-ethoxy-1-oxopropan-2-yl) 2-ethylbutanoate
CID 88565350

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate?
The IUPAC name of ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate (CID 91217463) is ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate?
The canonical SMILES for ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate is CCOC(=O)C(C)COC(=O)Cl.CCOC(=O)C(C)COC(=O)OC(C)C(=O)OCC.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate?
The InChIKey is PVQSXCCZPPAXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7.C7H11ClO4.C5H10O3/c1-5-16-10(13)8(3)7-18-12(15)19-9(4)11(14)17-6-2;1-3-11-6(9)5(2)4-12-7(8)10;1-3-8-5(7)4(2)6/h8-9H,5-7H2,1-4H3;5H,3-4H2,1-2H3;4,6H,3H2,1-2H3.
What are the key properties of ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate?
ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate has a molecular weight of 589.03 g/mol, XLogP of 2.78, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbonochloridoyloxy-2-methylpropanoate;ethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxycarbonyloxy-2-methylpropanoate;ethyl 2-hydroxypropanoate is sourced from PubChem (CID 91217463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).