1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate

C15H24O10 — CID 162489296

IUPAC1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate
SMILESCOC(=O)C(C)OC(=O)CCC(=O)OCCOCCOC(=O)C(C)O
InChIInChI=1S/C15H24O10/c1-10(16)14(19)24-9-7-22-6-8-23-12(17)4-5-13(18)25-11(2)15(20)21-3/h10-11,16H,4-9H2,1-3H3
InChIKeyAVQSZCRWJFCKEH-UHFFFAOYSA-N
MW364.35 g/mol
LogP-0.64
Rot. Bonds12

About 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate

1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate (PubChem CID 162489296) has the molecular formula C15H24O10 and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate.

Molecular Properties

Compound Name1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate
PubChem CID162489296
Molecular FormulaC15H24O10
Molecular Weight364.35 g/mol
Exact Mass364.14
IUPAC Name1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate
SMILESCOC(=O)C(C)OC(=O)CCC(=O)OCCOCCOC(=O)C(C)O
InChIInChI=1S/C15H24O10/c1-10(16)14(19)24-9-7-22-6-8-23-12(17)4-5-13(18)25-11(2)15(20)21-3/h10-11,16H,4-9H2,1-3H3
InChIKeyAVQSZCRWJFCKEH-UHFFFAOYSA-N
XLogP-0.64
TPSA134.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

bis[1-(2-hydroxyethoxy)-1-oxopropan-2-yl] butanedioate
CID 162489298
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
4-[2-[2-[2-[(2R)-butan-2-yl]oxyethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 118136972
3,6-dimethyl-1,4-dioxane-2,5-dione;2-hydroxypropanoic acid;bis(2-(2-methoxyethoxy)ethanol);4-[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]oxy-4-oxobutanoic acid;2-(2-methoxyethoxy)ethyl 2-hydroxypropanoate;oxolane-2,5-dione
CID 159702016
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-(3,3-dimethylbutoxy)ethyl 2-(2-hydroxyacetyl)oxypropanoate
CID 176777367

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate?
The IUPAC name of 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate (CID 162489296) is 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate.
What is the SMILES notation for 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate?
The canonical SMILES for 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate is COC(=O)C(C)OC(=O)CCC(=O)OCCOCCOC(=O)C(C)O.
What is the InChIKey of 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate?
The InChIKey is AVQSZCRWJFCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O10/c1-10(16)14(19)24-9-7-22-6-8-23-12(17)4-5-13(18)25-11(2)15(20)21-3/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate?
1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate has a molecular weight of 364.35 g/mol, XLogP of -0.64, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] 4-O-(1-methoxy-1-oxopropan-2-yl) butanedioate is sourced from PubChem (CID 162489296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).