(2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid

C39H59NO6Si — CID 173310059

IUPAC(2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid
SMILESCC=CC[C@@](C)(C(=O)O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)CCC(C)(C)C
InChIInChI=1S/C39H59NO6Si/c1-13-14-25-39(12,33(41)42)32-30(40(38(10,11)44-32)34(43)45-36(5,6)7)31(37(8,9)27-26-35(2,3)4)46-47(28-21-17-15-18-22-28)29-23-19-16-20-24-29/h13-24,30-32,47H,25-27H2,1-12H3,(H,41,42)/t30-,31?,32-,39-/m1/s1
InChIKeyKWZQCLSUBHOHNQ-SLVXVCLDSA-N
MW665.99 g/mol
LogP7.56
Rot. Bonds12

About (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid

(2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid (PubChem CID 173310059) has the molecular formula C39H59NO6Si and a molecular weight of 665.99 g/mol. Its IUPAC name is (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid
PubChem CID173310059
Molecular FormulaC39H59NO6Si
Molecular Weight665.99 g/mol
Exact Mass665.41
IUPAC Name(2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid
SMILESCC=CC[C@@](C)(C(=O)O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)CCC(C)(C)C
InChIInChI=1S/C39H59NO6Si/c1-13-14-25-39(12,33(41)42)32-30(40(38(10,11)44-32)34(43)45-36(5,6)7)31(37(8,9)27-26-35(2,3)4)46-47(28-21-17-15-18-22-28)29-23-19-16-20-24-29/h13-24,30-32,47H,25-27H2,1-12H3,(H,41,42)/t30-,31?,32-,39-/m1/s1
InChIKeyKWZQCLSUBHOHNQ-SLVXVCLDSA-N
XLogP7.56
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.99
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid?
The IUPAC name of (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid (CID 173310059) is (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid.
What is the SMILES notation for (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid?
The canonical SMILES for (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid is CC=CC[C@@](C)(C(=O)O)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)CCC(C)(C)C.
What is the InChIKey of (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid?
The InChIKey is KWZQCLSUBHOHNQ-SLVXVCLDSA-N. The full InChI is InChI=1S/C39H59NO6Si/c1-13-14-25-39(12,33(41)42)32-30(40(38(10,11)44-32)34(43)45-36(5,6)7)31(37(8,9)27-26-35(2,3)4)46-47(28-21-17-15-18-22-28)29-23-19-16-20-24-29/h13-24,30-32,47H,25-27H2,1-12H3,(H,41,42)/t30-,31?,32-,39-/m1/s1.
What are the key properties of (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid?
(2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid has a molecular weight of 665.99 g/mol, XLogP of 7.56, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S,5S)-4-(1-diphenylsilyloxy-2,2,5,5-tetramethylhexyl)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]-2-methylhex-4-enoic acid is sourced from PubChem (CID 173310059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).