(2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid

C44H68O8Si — CID 90795667

IUPAC(2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid
SMILESCCCCCCCC1(CCCCCCC=C[C@H](C(=O)O)[C@@](O)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)OC(C)(C)C)OCCO1
InChIInChI=1S/C44H68O8Si/c1-8-9-10-14-23-30-43(49-34-35-50-43)31-24-15-12-11-13-22-29-38(39(45)46)44(48,40(47)52-41(2,3)4)32-33-51-53(42(5,6)7,36-25-18-16-19-26-36)37-27-20-17-21-28-37/h16-22,25-29,38,48H,8-15,23-24,30-35H2,1-7H3,(H,45,46)/t38-,44+/m1/s1
InChIKeyMWEISLIREZZAFH-YWZTWLIPSA-N
MW753.11 g/mol
LogP8.73
Rot. Bonds23

About (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid

(2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid (PubChem CID 90795667) has the molecular formula C44H68O8Si and a molecular weight of 753.11 g/mol. Its IUPAC name is (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid
PubChem CID90795667
Molecular FormulaC44H68O8Si
Molecular Weight753.11 g/mol
Exact Mass752.47
IUPAC Name(2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid
SMILESCCCCCCCC1(CCCCCCC=C[C@H](C(=O)O)[C@@](O)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)OC(C)(C)C)OCCO1
InChIInChI=1S/C44H68O8Si/c1-8-9-10-14-23-30-43(49-34-35-50-43)31-24-15-12-11-13-22-29-38(39(45)46)44(48,40(47)52-41(2,3)4)32-33-51-53(42(5,6)7,36-25-18-16-19-26-36)37-27-20-17-21-28-37/h16-22,25-29,38,48H,8-15,23-24,30-35H2,1-7H3,(H,45,46)/t38-,44+/m1/s1
InChIKeyMWEISLIREZZAFH-YWZTWLIPSA-N
XLogP8.73
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.11
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid?
The IUPAC name of (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid (CID 90795667) is (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid.
What is the SMILES notation for (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid?
The canonical SMILES for (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid is CCCCCCCC1(CCCCCCC=C[C@H](C(=O)O)[C@@](O)(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)OC(C)(C)C)OCCO1.
What is the InChIKey of (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid?
The InChIKey is MWEISLIREZZAFH-YWZTWLIPSA-N. The full InChI is InChI=1S/C44H68O8Si/c1-8-9-10-14-23-30-43(49-34-35-50-43)31-24-15-12-11-13-22-29-38(39(45)46)44(48,40(47)52-41(2,3)4)32-33-51-53(42(5,6)7,36-25-18-16-19-26-36)37-27-20-17-21-28-37/h16-22,25-29,38,48H,8-15,23-24,30-35H2,1-7H3,(H,45,46)/t38-,44+/m1/s1.
What are the key properties of (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid?
(2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid has a molecular weight of 753.11 g/mol, XLogP of 8.73, 23 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-10-(2-heptyl-1,3-dioxolan-2-yl)dec-3-enoic acid is sourced from PubChem (CID 90795667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).