bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate

C17H24O8 — CID 10893638

IUPACbis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H](C)OC(=O)C1=C(C(=O)O[C@H](C)C(=O)OCC)C1(C)C
InChIInChI=1S/C17H24O8/c1-7-22-13(18)9(3)24-15(20)11-12(17(11,5)6)16(21)25-10(4)14(19)23-8-2/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyVSQGVXKZBQWOQM-NXEZZACHSA-N
MW356.37 g/mol
LogP1.31
Rot. Bonds8

About bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate

bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 10893638) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID10893638
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Namebis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H](C)OC(=O)C1=C(C(=O)O[C@H](C)C(=O)OCC)C1(C)C
InChIInChI=1S/C17H24O8/c1-7-22-13(18)9(3)24-15(20)11-12(17(11,5)6)16(21)25-10(4)14(19)23-8-2/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1
InChIKeyVSQGVXKZBQWOQM-NXEZZACHSA-N
XLogP1.31
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-O-(3-methoxy-2,2-dimethyl-3-oxopropyl) 1-O-(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10893240
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
Bis(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11044776
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
Bis(3-methoxy-2,2-dimethyl-3-oxopropyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10915984
bis[(2S)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10959217
2-O-[(2S)-1-methoxy-1-oxopropan-2-yl] 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10967090
2-O-(2-methoxyethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10998750
bis[(2S)-1,4-dimethoxy-1,4-dioxobutan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11004767
bis[(2S)-1-methoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11012872
2-O-(2-methoxy-2-oxoethyl) 1-O-methyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11021066

Frequently Asked Questions

What is the IUPAC name of bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 10893638) is bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate is CCOC(=O)[C@@H](C)OC(=O)C1=C(C(=O)O[C@H](C)C(=O)OCC)C1(C)C.
What is the InChIKey of bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is VSQGVXKZBQWOQM-NXEZZACHSA-N. The full InChI is InChI=1S/C17H24O8/c1-7-22-13(18)9(3)24-15(20)11-12(17(11,5)6)16(21)25-10(4)14(19)23-8-2/h9-10H,7-8H2,1-6H3/t9-,10-/m1/s1.
What are the key properties of bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate?
bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 356.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R)-1-ethoxy-1-oxopropan-2-yl] 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 10893638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).