(1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol

C31H52O7Si2 — CID 11135702

IUPAC(1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol
SMILESCOC(OC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C#C[C@]1([C@H]2COC(C)(C)O2)O[C@@H]1C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H52O7Si2/c1-27(2,3)39(11,12)18-15-24-31(37-24,25-21-35-29(7,8)36-25)17-16-30(32)20-22(19-23(30)26(33-9)34-10)38-40(13,14)28(4,5)6/h19,22,24-26,32H,20-21H2,1-14H3/t22-,24+,25+,30-,31-/m0/s1
InChIKeyYRVIZERSQAWQRT-CWYNIAIZSA-N
MW592.92 g/mol
LogP5.40
Rot. Bonds6

About (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol

(1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol (PubChem CID 11135702) has the molecular formula C31H52O7Si2 and a molecular weight of 592.92 g/mol. Its IUPAC name is (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol
PubChem CID11135702
Molecular FormulaC31H52O7Si2
Molecular Weight592.92 g/mol
Exact Mass592.33
IUPAC Name(1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol
SMILESCOC(OC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C#C[C@]1([C@H]2COC(C)(C)O2)O[C@@H]1C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H52O7Si2/c1-27(2,3)39(11,12)18-15-24-31(37-24,25-21-35-29(7,8)36-25)17-16-30(32)20-22(19-23(30)26(33-9)34-10)38-40(13,14)28(4,5)6/h19,22,24-26,32H,20-21H2,1-14H3/t22-,24+,25+,30-,31-/m0/s1
InChIKeyYRVIZERSQAWQRT-CWYNIAIZSA-N
XLogP5.40
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.92
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol with MolForge

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Related Compounds

[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-triethylsilylethynyl)oxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 134901189
[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(2-triethylsilylethynyl)oxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 11410028
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-3-en-1-ynyl]-1-prop-2-ynylcyclopent-2-en-1-ol
CID 139616242
(4S,6R,10S,11S,12R)-11-[tert-butyl(dimethyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-12-(1-ethoxyethoxy)-5-oxatricyclo[8.3.0.04,6]tridec-1(13)-en-2,7-diyn-10-ol
CID 10940099
(4S,6R,9R,10R,11S,12R)-10,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-12-(methoxymethoxy)-5-oxatricyclo[8.3.0.04,6]tridec-1(13)-en-2,7-diyn-9-ol
CID 11192767
[(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[(2S,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethynyloxiran-2-yl]ethynyl]-5-trimethylsilyloxycyclopenten-1-yl]methanol
CID 101181942
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-triethylsilyloxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 102247055
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-triethylsilyloxiran-2-yl]ethynyl]cyclopent-2-en-1-yl]methanol
CID 102247056

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol (CID 11135702) is (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol is COC(OC)C1=C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]1(O)C#C[C@]1([C@H]2COC(C)(C)O2)O[C@@H]1C#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol?
The InChIKey is YRVIZERSQAWQRT-CWYNIAIZSA-N. The full InChI is InChI=1S/C31H52O7Si2/c1-27(2,3)39(11,12)18-15-24-31(37-24,25-21-35-29(7,8)36-25)17-16-30(32)20-22(19-23(30)26(33-9)34-10)38-40(13,14)28(4,5)6/h19,22,24-26,32H,20-21H2,1-14H3/t22-,24+,25+,30-,31-/m0/s1.
What are the key properties of (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol?
(1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol has a molecular weight of 592.92 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-[2-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxiran-2-yl]ethynyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 11135702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).