2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate

C23H38O10 — CID 58219257

IUPAC2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate
SMILESCOCCOC(=O)CCC1(CCC(C)=O)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C23H38O10/c1-15(24)7-9-23(10-8-18(25)27-12-11-26-6)29-14-17(31-23)20-19(32-22(4,5)33-20)16-13-28-21(2,3)30-16/h16-17,19-20H,7-14H2,1-6H3/t16-,17+,19+,20-,23?/m0/s1
InChIKeyBPOPPBSLUYBSTL-DOCSTXALSA-N
MW474.55 g/mol
LogP2.11
Rot. Bonds11

About 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate

2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate (PubChem CID 58219257) has the molecular formula C23H38O10 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Name2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate
PubChem CID58219257
Molecular FormulaC23H38O10
Molecular Weight474.55 g/mol
Exact Mass474.25
IUPAC Name2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate
SMILESCOCCOC(=O)CCC1(CCC(C)=O)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C23H38O10/c1-15(24)7-9-23(10-8-18(25)27-12-11-26-6)29-14-17(31-23)20-19(32-22(4,5)33-20)16-13-28-21(2,3)30-16/h16-17,19-20H,7-14H2,1-6H3/t16-,17+,19+,20-,23?/m0/s1
InChIKeyBPOPPBSLUYBSTL-DOCSTXALSA-N
XLogP2.11
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate (CID 58219257) is 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate is COCCOC(=O)CCC1(CCC(C)=O)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate?
The InChIKey is BPOPPBSLUYBSTL-DOCSTXALSA-N. The full InChI is InChI=1S/C23H38O10/c1-15(24)7-9-23(10-8-18(25)27-12-11-26-6)29-14-17(31-23)20-19(32-22(4,5)33-20)16-13-28-21(2,3)30-16/h16-17,19-20H,7-14H2,1-6H3/t16-,17+,19+,20-,23?/m0/s1.
What are the key properties of 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate?
2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate has a molecular weight of 474.55 g/mol, XLogP of 2.11, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 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-oxobutyl)-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 58219257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).