ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate

C25H44O9Si — CID 102588766

IUPACethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@@H](OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C25H44O9Si/c1-13-28-22(27)15(2)18(30-16(3)26)20-21(33-25(9,10)32-20)19(17-14-29-24(7,8)31-17)34-35(11,12)23(4,5)6/h17-21H,2,13-14H2,1,3-12H3/t17-,18-,19-,20-,21+/m1/s1
InChIKeyAJHGMJCPIRZSHU-ONUIULTDSA-N
MW516.70 g/mol
LogP4.10
Rot. Bonds9

About ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate

ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate (PubChem CID 102588766) has the molecular formula C25H44O9Si and a molecular weight of 516.70 g/mol. Its IUPAC name is ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
PubChem CID102588766
Molecular FormulaC25H44O9Si
Molecular Weight516.70 g/mol
Exact Mass516.28
IUPAC Nameethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@@H](OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C25H44O9Si/c1-13-28-22(27)15(2)18(30-16(3)26)20-21(33-25(9,10)32-20)19(17-14-29-24(7,8)31-17)34-35(11,12)23(4,5)6/h17-21H,2,13-14H2,1,3-12H3/t17-,18-,19-,20-,21+/m1/s1
InChIKeyAJHGMJCPIRZSHU-ONUIULTDSA-N
XLogP4.10
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.70
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate (CID 102588766) is ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate is C=C(C(=O)OCC)[C@@H](OC(C)=O)[C@H]1OC(C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
The InChIKey is AJHGMJCPIRZSHU-ONUIULTDSA-N. The full InChI is InChI=1S/C25H44O9Si/c1-13-28-22(27)15(2)18(30-16(3)26)20-21(33-25(9,10)32-20)19(17-14-29-24(7,8)31-17)34-35(11,12)23(4,5)6/h17-21H,2,13-14H2,1,3-12H3/t17-,18-,19-,20-,21+/m1/s1.
What are the key properties of ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate?
ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate has a molecular weight of 516.70 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(R)-acetyloxy-[(4R,5R)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]prop-2-enoate is sourced from PubChem (CID 102588766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).