ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate

C23H38O10 — CID 58219252

IUPACethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate
SMILESCCOC(=O)CCC1(CCC(=O)OCC)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C23H38O10/c1-7-26-17(24)9-11-23(12-10-18(25)27-8-2)29-14-16(31-23)20-19(32-22(5,6)33-20)15-13-28-21(3,4)30-15/h15-16,19-20H,7-14H2,1-6H3/t15-,16+,19+,20-/m0/s1
InChIKeyWFOJGELLXFUQLL-FIYPYCPBSA-N
MW474.55 g/mol
LogP2.46
Rot. Bonds10

About ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate

ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate (PubChem CID 58219252) has the molecular formula C23H38O10 and a molecular weight of 474.55 g/mol. Its IUPAC name is ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate
PubChem CID58219252
Molecular FormulaC23H38O10
Molecular Weight474.55 g/mol
Exact Mass474.25
IUPAC Nameethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate
SMILESCCOC(=O)CCC1(CCC(=O)OCC)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C23H38O10/c1-7-26-17(24)9-11-23(12-10-18(25)27-8-2)29-14-16(31-23)20-19(32-22(5,6)33-20)15-13-28-21(3,4)30-15/h15-16,19-20H,7-14H2,1-6H3/t15-,16+,19+,20-/m0/s1
InChIKeyWFOJGELLXFUQLL-FIYPYCPBSA-N
XLogP2.46
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate (CID 58219252) is ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate is CCOC(=O)CCC1(CCC(=O)OCC)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
The InChIKey is WFOJGELLXFUQLL-FIYPYCPBSA-N. The full InChI is InChI=1S/C23H38O10/c1-7-26-17(24)9-11-23(12-10-18(25)27-8-2)29-14-16(31-23)20-19(32-22(5,6)33-20)15-13-28-21(3,4)30-15/h15-16,19-20H,7-14H2,1-6H3/t15-,16+,19+,20-/m0/s1.
What are the key properties of ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate?
ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate has a molecular weight of 474.55 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4R)-4-[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(3-ethoxy-3-oxopropyl)-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 58219252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).