ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate

C30H50O8Si — CID 164674989

About ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate

ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate (PubChem CID 164674989) has the molecular formula C30H50O8Si and a molecular weight of 566.81 g/mol. Its IUPAC name is ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate.

Molecular Properties

• Compound Name: ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate
• PubChem CID: 164674989
• Molecular Formula: C30H50O8Si
• Molecular Weight: 566.81 g/mol
• Exact Mass: 566.33
• IUPAC Name: ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate
• SMILES: CCOC(=O)/C=C/[C@H]1O[C@@H]1[C@@H]1OC2(CCCCC2)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)[C@H]1COC2(CCCCC2)O1
• InChI: InChI=1S/C30H50O8Si/c1-5-32-24(31)16-15-22-25(34-22)27-28(37-30(36-27)19-13-10-14-20-30)26(38-39(6-2,7-3)8-4)23-21-33-29(35-23)17-11-9-12-18-29/h15-16,22-23,25-28H,5-14,17-21H2,1-4H3/b16-15+/t22-,23-,25+,26+,27+,28-/m1/s1
• InChIKey: DSBFSINCMMPZSX-PKDQHPMKSA-N
• XLogP: 5.78
• TPSA: 84.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.81
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate?

The IUPAC name of ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate (CID 164674989) is ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate.

What is the SMILES notation for ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate?

The canonical SMILES for ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate is CCOC(=O)/C=C/[C@H]1O[C@@H]1[C@@H]1OC2(CCCCC2)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)[C@H]1COC2(CCCCC2)O1.

What is the InChIKey of ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate?

The InChIKey is DSBFSINCMMPZSX-PKDQHPMKSA-N. The full InChI is InChI=1S/C30H50O8Si/c1-5-32-24(31)16-15-22-25(34-22)27-28(37-30(36-27)19-13-10-14-20-30)26(38-39(6-2,7-3)8-4)23-21-33-29(35-23)17-11-9-12-18-29/h15-16,22-23,25-28H,5-14,17-21H2,1-4H3/b16-15+/t22-,23-,25+,26+,27+,28-/m1/s1.

What are the key properties of ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate?

ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate has a molecular weight of 566.81 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate is sourced from PubChem (CID 164674989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).